 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_180_STD_B3LYPDBJ-augccpVDZr.in
 Output=23_tartaric_acid_180_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/23_tartaric_acid_180_STD/Gau-11155.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/23_tartaric_acid_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11157.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_180_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:17:52 2021, MaxMem= 10737418240 cpu:               2.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_180_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.590679000000     -0.628285000000     -0.073741000000
  O                                                 1.211559000000     -1.775276000000      0.013291000000
  O                                                 2.868849000000     -0.318264000000      0.051126000000
  C                                                 0.664406000000      0.550522000000     -0.353134000000
  C                                                -0.685188000000      0.564721000000      0.381775000000
  C                                                -1.733895000000     -0.516464000000      0.037464000000
  O                                                -2.859483000000     -0.150461000000     -0.205746000000
  O                                                 1.393505000000      1.714785000000      0.033235000000
  O                                                -1.246997000000      1.824753000000      0.059042000000
  O                                                -1.388076000000     -1.783485000000      0.060653000000
  H                                                 0.467689000000      0.633094000000     -1.429180000000
  H                                                -0.485201000000      0.574611000000      1.460886000000
  H                                                -0.398921000000     -1.894520000000      0.109807000000
  H                                                 2.947109000000      0.655108000000      0.032070000000
  H                                                 0.799648000000      2.471836000000     -0.067292000000
  H                                                -2.181205000000      1.640492000000     -0.153284000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul  8 18:17:53 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318264    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150461   -0.205746
      8          8           0        1.393505    1.714785    0.033235
      9          8           0       -1.246997    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655108    0.032070
     15          1           0        0.799648    2.471836   -0.067292
     16          1           0       -2.181205    1.640492   -0.153284
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.211154   0.000000
     3  O    1.321145   2.207017   0.000000
     4  C    1.525001   2.417226   2.403702   0.000000
     5  C    2.609661   3.034636   3.676978   1.536781   0.000000
     6  C    3.328312   3.203263   4.607030   2.653841   1.545088
     7  O    4.477687   4.388779   5.736543   3.595955   2.363096
     8  O    2.353784   3.494857   2.512021   1.427016   2.401061
     9  O    3.753323   4.359679   4.640342   2.333884   1.416851
    10  O    3.197738   2.600079   4.502041   3.135521   2.472093
    11  H    2.165502   2.904189   2.976904   1.096992   2.147873
    12  H    2.848037   3.239829   3.746238   2.147753   1.097530
    13  H    2.365491   1.617770   3.628546   2.706143   2.490739
    14  H    1.870346   2.986512   0.976699   2.317338   3.650212
    15  H    3.199456   4.267801   3.475669   1.947163   2.458350
    16  H    4.402361   4.817267   5.420475   3.053764   1.918760
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.208328   0.000000
     8  O    3.841760   4.650179   0.000000
     9  O    2.391408   2.563532   2.642917   0.000000
    10  O    1.313572   2.214221   4.469434   3.610995   0.000000
    11  H    2.884354   3.630540   2.041041   2.564177   3.391654
    12  H    2.185363   2.990085   2.620634   2.026908   2.887292
    13  H    1.920007   3.032438   4.030600   3.815076   0.996580
    14  H    4.825392   5.867027   1.880586   4.354230   4.974071
    15  H    3.919152   4.503871   0.967418   2.150217   4.786467
    16  H    2.211093   1.915809   3.580344   0.975592   3.521142
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.043666   0.000000
    13  H    3.083557   2.815931   0.000000
    14  H    2.878065   3.718702   4.207441   0.000000
    15  H    2.312122   2.754202   4.531335   2.814598   0.000000
    16  H    3.107958   2.572562   3.967627   5.225413   3.095806
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.29D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318265    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150460   -0.205746
      8          8           0        1.393506    1.714785    0.033235
      9          8           0       -1.246996    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655107    0.032070
     15          1           0        0.799649    2.471836   -0.067292
     16          1           0       -2.181204    1.640493   -0.153284
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0975833           1.0678559           0.7247209
 Leave Link  202 at Thu Jul  8 18:17:53 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 328 were deleted.
 There are   304 symmetry adapted cartesian basis functions of A   symmetry.
 There are   284 symmetry adapted basis functions of A   symmetry.
   284 basis functions,   542 primitive gaussians,   304 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       580.0099000626 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0250058849 Hartrees.
 Nuclear repulsion after empirical dispersion term =      579.9848941777 Hartrees.
 Leave Link  301 at Thu Jul  8 18:17:56 2021, MaxMem= 10737418240 cpu:              33.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   284 RedAO= T EigKep=  2.31D-05  NBF=   284
 NBsUse=   284 1.00D-06 EigRej= -1.00D+00 NBFU=   284
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   304   304   304   304   304 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Thu Jul  8 18:17:56 2021, MaxMem= 10737418240 cpu:               6.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:17:57 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_180_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:17:58 2021, MaxMem= 10737418240 cpu:               6.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737225648 LenY= 10737132791
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.522599115690    
 DIIS: error= 1.92D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.522599115690     IErMin= 1 ErrMin= 1.92D-03
 ErrMax= 1.92D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.50D-03 BMatP= 7.50D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.92D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.255 Goal=   None    Shift=    0.000
 GapD=    0.255 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.50D-03 MaxDP=2.64D-01              OVMax= 1.91D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.48D-03    CP:  9.81D-01
 E= -607.529227426417     Delta-E=       -0.006628310727 Rises=F Damp=F
 DIIS: error= 5.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.529227426417     IErMin= 2 ErrMin= 5.70D-04
 ErrMax= 5.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-04 BMatP= 7.50D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.70D-03
 Coeff-Com:  0.219D-01 0.978D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.218D-01 0.978D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=3.57D-04 MaxDP=1.63D-02 DE=-6.63D-03 OVMax= 5.22D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.76D-04    CP:  9.79D-01  1.03D+00
 E= -607.528941405661     Delta-E=        0.000286020755 Rises=F Damp=F
 DIIS: error= 8.84D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -607.529227426417     IErMin= 2 ErrMin= 5.70D-04
 ErrMax= 8.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.69D-04 BMatP= 2.62D-04
 IDIUse=3 WtCom= 2.52D-01 WtEn= 7.48D-01
 Coeff-Com: -0.150D-01 0.626D+00 0.389D+00
 Coeff-En:   0.000D+00 0.688D+00 0.312D+00
 Coeff:     -0.379D-02 0.672D+00 0.332D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=5.94D-03 DE= 2.86D-04 OVMax= 3.23D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.44D-05    CP:  9.79D-01  1.03D+00  7.47D-01
 E= -607.529410793323     Delta-E=       -0.000469387661 Rises=F Damp=F
 DIIS: error= 8.48D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.529410793323     IErMin= 4 ErrMin= 8.48D-05
 ErrMax= 8.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-05 BMatP= 2.62D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.798D-02 0.304D+00 0.132D+00 0.573D+00
 Coeff:     -0.798D-02 0.304D+00 0.132D+00 0.573D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=1.94D-05 MaxDP=1.46D-03 DE=-4.69D-04 OVMax= 7.98D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.68D-05    CP:  9.79D-01  1.03D+00  7.37D-01  1.10D+00
 E= -607.529417452858     Delta-E=       -0.000006659535 Rises=F Damp=F
 DIIS: error= 5.03D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.529417452858     IErMin= 5 ErrMin= 5.03D-05
 ErrMax= 5.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-06 BMatP= 1.08D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.236D-02 0.737D-01 0.135D-01 0.363D+00 0.553D+00
 Coeff:     -0.236D-02 0.737D-01 0.135D-01 0.363D+00 0.553D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=7.32D-06 MaxDP=4.70D-04 DE=-6.66D-06 OVMax= 4.43D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.65D-06    CP:  9.79D-01  1.03D+00  7.47D-01  1.12D+00  8.55D-01
 E= -607.529418444453     Delta-E=       -0.000000991595 Rises=F Damp=F
 DIIS: error= 1.55D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.529418444453     IErMin= 6 ErrMin= 1.55D-05
 ErrMax= 1.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-07 BMatP= 1.51D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.311D-03 0.971D-03-0.931D-02 0.126D+00 0.317D+00 0.566D+00
 Coeff:     -0.311D-03 0.971D-03-0.931D-02 0.126D+00 0.317D+00 0.566D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=3.15D-06 MaxDP=1.30D-04 DE=-9.92D-07 OVMax= 1.07D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.61D-06    CP:  9.79D-01  1.03D+00  7.49D-01  1.13D+00  8.43D-01
                    CP:  6.69D-01
 E= -607.529418579379     Delta-E=       -0.000000134926 Rises=F Damp=F
 DIIS: error= 2.00D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.529418579379     IErMin= 7 ErrMin= 2.00D-06
 ErrMax= 2.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-09 BMatP= 1.61D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.219D-05-0.318D-02-0.405D-02 0.309D-01 0.921D-01 0.211D+00
 Coeff-Com:  0.673D+00
 Coeff:      0.219D-05-0.318D-02-0.405D-02 0.309D-01 0.921D-01 0.211D+00
 Coeff:      0.673D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=5.63D-07 MaxDP=2.08D-05 DE=-1.35D-07 OVMax= 1.49D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.41D-07    CP:  9.79D-01  1.03D+00  7.50D-01  1.13D+00  8.50D-01
                    CP:  6.99D-01  8.97D-01
 E= -607.529418580922     Delta-E=       -0.000000001544 Rises=F Damp=F
 DIIS: error= 1.08D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.529418580922     IErMin= 8 ErrMin= 1.08D-06
 ErrMax= 1.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-09 BMatP= 2.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.252D-04-0.203D-02-0.171D-02 0.871D-02 0.298D-01 0.839D-01
 Coeff-Com:  0.440D+00 0.441D+00
 Coeff:      0.252D-04-0.203D-02-0.171D-02 0.871D-02 0.298D-01 0.839D-01
 Coeff:      0.440D+00 0.441D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=1.99D-07 MaxDP=1.62D-05 DE=-1.54D-09 OVMax= 1.02D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.54D-07    CP:  9.79D-01  1.03D+00  7.50D-01  1.13D+00  8.51D-01
                    CP:  7.01D-01  9.08D-01  7.67D-01
 E= -607.529418581883     Delta-E=       -0.000000000961 Rises=F Damp=F
 DIIS: error= 3.06D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.529418581883     IErMin= 9 ErrMin= 3.06D-07
 ErrMax= 3.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-10 BMatP= 1.31D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-04-0.792D-03-0.505D-03 0.134D-02 0.557D-02 0.222D-01
 Coeff-Com:  0.168D+00 0.257D+00 0.547D+00
 Coeff:      0.155D-04-0.792D-03-0.505D-03 0.134D-02 0.557D-02 0.222D-01
 Coeff:      0.168D+00 0.257D+00 0.547D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=6.73D-08 MaxDP=3.55D-06 DE=-9.61D-10 OVMax= 2.25D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.54D-08    CP:  9.79D-01  1.03D+00  7.50D-01  1.13D+00  8.50D-01
                    CP:  7.01D-01  9.18D-01  7.64D-01  8.16D-01
 E= -607.529418581920     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 7.74D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.529418581920     IErMin=10 ErrMin= 7.74D-08
 ErrMax= 7.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.36D-12 BMatP= 1.01D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.465D-05-0.160D-03-0.557D-04-0.242D-03-0.578D-03 0.171D-02
 Coeff-Com:  0.339D-01 0.765D-01 0.272D+00 0.617D+00
 Coeff:      0.465D-05-0.160D-03-0.557D-04-0.242D-03-0.578D-03 0.171D-02
 Coeff:      0.339D-01 0.765D-01 0.272D+00 0.617D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=2.13D-08 MaxDP=8.61D-07 DE=-3.68D-11 OVMax= 5.58D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.38D-08    CP:  9.79D-01  1.03D+00  7.50D-01  1.13D+00  8.50D-01
                    CP:  7.01D-01  9.19D-01  7.81D-01  8.40D-01  7.59D-01
 E= -607.529418581963     Delta-E=       -0.000000000043 Rises=F Damp=F
 DIIS: error= 1.19D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -607.529418581963     IErMin=11 ErrMin= 1.19D-08
 ErrMax= 1.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-13 BMatP= 7.36D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.599D-06-0.565D-05 0.192D-04-0.211D-03-0.649D-03-0.876D-03
 Coeff-Com:  0.168D-02 0.123D-01 0.643D-01 0.228D+00 0.695D+00
 Coeff:      0.599D-06-0.565D-05 0.192D-04-0.211D-03-0.649D-03-0.876D-03
 Coeff:      0.168D-02 0.123D-01 0.643D-01 0.228D+00 0.695D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=4.04D-09 MaxDP=2.01D-07 DE=-4.34D-11 OVMax= 9.89D-08

 SCF Done:  E(RB3LYP) =  -607.529418582     A.U. after   11 cycles
            NFock= 11  Conv=0.40D-08     -V/T= 2.0056
 KE= 6.041618102288D+02 PE=-2.586635511178D+03 EE= 7.949593881894D+02
 Leave Link  502 at Thu Jul  8 18:18:57 2021, MaxMem= 10737418240 cpu:             937.5 elap:              58.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   284
 NBasis=   284 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    284 NOA=    39 NOB=    39 NVA=   245 NVB=   245

 **** Warning!!: The largest alpha MO coefficient is  0.41017659D+02

 Leave Link  801 at Thu Jul  8 18:18:57 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4958 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.59D-13 8.33D-09 XBig12= 1.00D+00 2.96D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.59D-13 8.33D-09 XBig12= 4.23D-01 9.57D-02.
     11 vectors produced by pass  2 Test12= 1.59D-13 8.33D-09 XBig12= 8.36D-02 6.14D-02.
     11 vectors produced by pass  3 Test12= 1.59D-13 8.33D-09 XBig12= 1.05D-02 1.17D-02.
     11 vectors produced by pass  4 Test12= 1.59D-13 8.33D-09 XBig12= 8.84D-04 5.43D-03.
     11 vectors produced by pass  5 Test12= 1.59D-13 8.33D-09 XBig12= 2.90D-05 1.15D-03.
     11 vectors produced by pass  6 Test12= 1.59D-13 8.33D-09 XBig12= 4.70D-07 1.11D-04.
     11 vectors produced by pass  7 Test12= 1.59D-13 8.33D-09 XBig12= 6.78D-09 1.45D-05.
     11 vectors produced by pass  8 Test12= 1.59D-13 8.33D-09 XBig12= 8.91D-11 1.14D-06.
      7 vectors produced by pass  9 Test12= 1.59D-13 8.33D-09 XBig12= 6.25D-13 8.62D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.903328D+02
      2  0.665073D+00  0.803833D+02
      3  0.260846D+01 -0.996646D+00  0.539226D+02
 Isotropic polarizability for W=    0.088559       74.88 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.106197D+02  0.138290D+02 -0.863908D+01
      2   0.422471D+01 -0.668683D+01  0.557120D+01
      3   0.639501D+01 -0.714222D+01  0.306787D+01
      4   0.175135D+02 -0.387872D+01  0.489301D-01
      5  -0.832853D+01  0.450822D+00 -0.435988D+01
      6  -0.722578D+00  0.117146D+01  0.167166D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.268002D+01 -0.100999D+01 -0.708014D+01
      2  -0.298700D+01 -0.139194D+01 -0.397752D+01
      3  -0.116537D+02 -0.744664D+00 -0.480569D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.401892D+00 -0.439975D+01 -0.238588D+02
      2  -0.310547D+00  0.771508D+00 -0.107549D+02
      3   0.368441D+01  0.810343D+01 -0.117340D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.835782D+00  0.410462D+00  0.216166D+01
      2   0.410462D+00  0.129260D+01  0.849114D+00
      3   0.216166D+01  0.849114D+00  0.350687D+00
 OR G Eigenvalues:    -2.4940     0.6642     2.6374  Iso=    -0.2692
 Eigenvectors:
   (1)   0.787527   0.052330  -0.614055
   (2)  -0.383811   0.821212  -0.422256
   (3)   0.482172   0.568219   0.666811
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2692 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -90.94 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40470 ScalPx= 6.25D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.64D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.65D-14 2.78D-09 XBig12= 1.00D+00 4.54D-01.
     30 vectors produced by pass  1 Test12= 2.65D-14 2.78D-09 XBig12= 5.00D-02 7.49D-02.
     30 vectors produced by pass  2 Test12= 2.65D-14 2.78D-09 XBig12= 1.49D-03 6.93D-03.
     30 vectors produced by pass  3 Test12= 2.65D-14 2.78D-09 XBig12= 1.44D-05 4.92D-04.
     30 vectors produced by pass  4 Test12= 2.65D-14 2.78D-09 XBig12= 2.16D-07 5.66D-05.
     30 vectors produced by pass  5 Test12= 2.65D-14 2.78D-09 XBig12= 9.68D-10 2.84D-06.
     30 vectors produced by pass  6 Test12= 2.65D-14 2.78D-09 XBig12= 2.50D-12 1.54D-07.
      2 vectors produced by pass  7 Test12= 2.65D-14 2.78D-09 XBig12= 3.83D-15 5.49D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   212 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 2.01D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 2.01D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.70D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.903328D+02  0.665073D+00  0.260846D+01
      2   0.665073D+00  0.803833D+02 -0.996646D+00
      3   0.260846D+01 -0.996646D+00  0.539226D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.268002D+01 -0.100999D+01 -0.708014D+01
      2  -0.298700D+01 -0.139194D+01 -0.397752D+01
      3  -0.116537D+02 -0.744664D+00 -0.480569D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.106197D+02  0.138290D+02 -0.863908D+01
      2   0.422471D+01 -0.668683D+01  0.557120D+01
      3   0.639501D+01 -0.714222D+01  0.306787D+01
      4   0.175135D+02 -0.387872D+01  0.489301D-01
      5  -0.832853D+01  0.450822D+00 -0.435988D+01
      6  -0.722578D+00  0.117146D+01  0.167166D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.261943D+01 -0.897339D+00 -0.202191D+00  0.247527D+01  0.208457D+01
      2  -0.897339D+00  0.280768D+01  0.923271D-01  0.208457D+01  0.548127D+01
      3  -0.202191D+00  0.923271D-01  0.650436D+00 -0.136835D+00 -0.436033D+00
                 6             7             8             9            10 
      1  -0.136835D+00 -0.103487D+01  0.746225D+00  0.448199D+00 -0.285872D+01
      2  -0.436033D+00  0.746225D+00 -0.580209D+00  0.164603D+00 -0.212762D+01
      3   0.293363D-01  0.448199D+00  0.164603D+00 -0.527531D+00  0.203950D+00
                11            12            13            14            15 
      1  -0.212762D+01  0.203950D+00 -0.576785D+01 -0.455007D+00  0.130057D+00
      2  -0.129994D+01  0.150979D+00 -0.455007D+00 -0.118394D+02  0.437283D+00
      3   0.150979D+00 -0.614258D+00  0.130057D+00  0.437283D+00 -0.180341D+01
                16            17            18            19            20 
      1   0.281527D+00  0.582869D-01 -0.413028D+00  0.994945D+01 -0.449375D+00
      2   0.582869D-01  0.432118D+00 -0.270454D+01 -0.449375D+00  0.221832D+00
      3  -0.413028D+00 -0.270454D+01  0.501120D+00  0.282668D+00  0.114395D+00
                21            22            23            24            25 
      1   0.282668D+00 -0.262038D+01  0.915639D+00  0.649485D-01  0.132942D+01
      2   0.114395D+00  0.915639D+00 -0.396608D+01  0.118727D+00 -0.364006D+00
      3   0.115236D+01  0.649485D-01  0.118727D+00 -0.133216D+00  0.240134D+01
                26            27            28            29            30 
      1  -0.364006D+00  0.240134D+01  0.435093D+01 -0.106932D+01 -0.625533D+00
      2   0.217261D+00  0.140919D+00 -0.106932D+01 -0.166896D+01 -0.498403D+00
      3   0.140919D+00  0.430804D+00 -0.625533D+00 -0.498403D+00  0.181799D+01
                31            32            33            34            35 
      1  -0.169580D+01 -0.268781D+01  0.129822D+00 -0.191027D+01 -0.101476D+01
      2  -0.268781D+01 -0.248972D+01 -0.309558D+00 -0.101476D+01  0.831293D-01
      3   0.129822D+00 -0.309558D+00  0.194983D+00  0.175433D+01 -0.478530D+00
                36            37            38            39            40 
      1   0.175433D+01 -0.481222D+01  0.158125D+01  0.300238D+00 -0.833790D+00
      2  -0.478530D+00  0.158125D+01  0.200336D+01  0.154957D-01  0.251245D+01
      3   0.725639D+01  0.300238D+00  0.154957D-01 -0.173947D+01  0.221394D+00
                41            42            43            44            45 
      1   0.251245D+01  0.221394D+00  0.100366D+01 -0.908553D+00 -0.196172D+01
      2  -0.983022D+00  0.376790D+00 -0.908553D+00  0.396618D+00  0.804719D+00
      3   0.376790D+00  0.932664D+00 -0.196172D+01  0.804719D+00 -0.762239D+01
                46            47            48            49            50 
      1   0.702945D+01 -0.252258D+01  0.118646D+01 -0.520467D+01 -0.202910D+01
      2  -0.252258D+01  0.913730D+00 -0.258564D-01 -0.202910D+01  0.458758D+00
      3   0.118646D+01 -0.258564D-01  0.518093D+00 -0.328096D+00 -0.324892D+00
                51            52            53            54            55 
      1  -0.328096D+00  0.206152D+01  0.211020D+00  0.271066D+00 -0.155412D+02
      2  -0.324892D+00  0.211020D+00  0.426986D+00 -0.614302D+00  0.141759D+01
      3  -0.110183D+01  0.271066D+00 -0.614302D+00  0.871514D+00 -0.139202D+01
                56            57            58            59            60 
      1   0.141759D+01 -0.139202D+01  0.217846D+01 -0.204153D+01  0.145630D+00
      2  -0.383321D+01  0.151532D+00 -0.204153D+01  0.184558D+01 -0.325442D+00
      3   0.151532D+00 -0.222622D+01  0.145630D+00 -0.325442D+00  0.929985D+00
                61            62            63            64            65 
      1  -0.221152D+01 -0.607752D-01 -0.359442D+01  0.554512D+01  0.163349D+01
      2  -0.607752D-01 -0.873882D+00  0.436109D+00  0.163349D+01  0.499910D+01
      3  -0.359442D+01  0.436109D+00 -0.166728D+01  0.480343D+00  0.123874D-01
                66            67            68            69            70 
      1   0.480343D+00  0.885673D+00  0.402900D+01 -0.173773D+00  0.119720D+01
      2   0.123874D-01  0.402900D+01  0.146040D+01  0.447993D+00  0.507378D+00
      3   0.286629D-01 -0.173773D+00  0.447993D+00 -0.523892D+00  0.602495D+00
                71            72            73            74            75 
      1   0.507378D+00  0.602495D+00  0.269980D+01  0.154510D+01  0.244738D+00
      2   0.127437D+01  0.106906D+01  0.154510D+01  0.157850D+01 -0.322819D+00
      3   0.106906D+01  0.515432D-01  0.244738D+00 -0.322819D+00  0.101824D+01
                76            77            78            79            80 
      1   0.248176D+01 -0.166435D+01 -0.444357D+00  0.830866D+00  0.315636D-01
      2  -0.166435D+01  0.741072D+01  0.166142D+00  0.315636D-01  0.396394D+00
      3  -0.444357D+00  0.166142D+00  0.313462D-01 -0.256412D+00  0.117928D+01
                81            82            83            84            85 
      1  -0.256412D+00 -0.884326D+01 -0.147944D+01  0.146591D-01  0.120198D+01
      2   0.117928D+01 -0.147944D+01 -0.138306D+01  0.161809D+00 -0.373337D+00
      3   0.519773D+00  0.146591D-01  0.161809D+00 -0.153768D+00  0.293571D+00
                86            87            88            89            90 
      1  -0.373337D+00  0.293571D+00 -0.294313D+00  0.163443D+00  0.910950D-01
      2  -0.792493D+01  0.101176D+00  0.163443D+00 -0.213424D+00 -0.201684D+01
      3   0.101176D+00 -0.951539D+00  0.910950D-01 -0.201684D+01  0.799609D-01
                91            92            93            94            95 
      1  -0.169077D+01  0.143414D+00 -0.109097D+01  0.293097D+00  0.450395D+00
      2   0.143414D+00 -0.757144D-02  0.862864D-01  0.450395D+00  0.687333D+00
      3  -0.109097D+01  0.862864D-01 -0.146744D+01 -0.734197D-01 -0.118572D+01
                96            97            98            99           100 
      1  -0.734197D-01 -0.142997D+01  0.302694D+00 -0.678945D+00  0.172746D+01
      2  -0.118572D+01  0.302694D+00 -0.186215D+01  0.634380D+00 -0.258434D+00
      3   0.652163D+00 -0.678945D+00  0.634380D+00 -0.848886D+01  0.119953D+01
               101           102           103           104           105 
      1  -0.258434D+00  0.119953D+01 -0.206383D+00 -0.390421D+00  0.112913D-01
      2  -0.168569D+00 -0.214666D-01 -0.390421D+00  0.295881D+00  0.114343D+01
      3  -0.214666D-01  0.150545D+01  0.112913D-01  0.114343D+01  0.302026D+00
               106           107           108           109           110 
      1   0.174795D+01  0.241781D+00  0.109104D+01  0.982856D+01 -0.502419D+00
      2   0.241781D+00  0.153892D+01  0.624650D-01 -0.502419D+00  0.142505D+01
      3   0.109104D+01  0.624650D-01  0.890577D+01 -0.100769D+00 -0.900645D-01
               111           112           113           114           115 
      1  -0.100769D+00 -0.408530D+00  0.363482D+00 -0.805961D-01  0.368472D+00
      2  -0.900645D-01  0.363482D+00 -0.182093D+01  0.100169D+00 -0.982982D-01
      3   0.405897D+00 -0.805961D-01  0.100169D+00 -0.550182D+00 -0.366493D-01
               116           117           118           119           120 
      1  -0.982982D-01 -0.366493D-01  0.234192D+01  0.149830D+01  0.256091D-01
      2   0.231963D+00 -0.599987D+00  0.149830D+01  0.838105D+00  0.432097D-01
      3  -0.599987D+00  0.148797D+00  0.256091D-01  0.432097D-01  0.743259D+00
               121           122           123           124           125 
      1   0.424776D+01  0.114533D+01  0.108892D+00 -0.153954D+00  0.378503D-01
      2   0.114533D+01  0.471632D+01 -0.404820D-01  0.378503D-01 -0.525714D-01
      3   0.108892D+00 -0.404820D-01  0.596419D+00  0.769273D+00  0.402044D+00
               126           127           128           129           130 
      1   0.769273D+00 -0.176548D+01  0.792577D+00 -0.258484D-01  0.220952D+01
      2   0.402044D+00  0.792577D+00 -0.266612D+01 -0.304913D-01 -0.930476D+00
      3   0.987549D-01 -0.258484D-01 -0.304913D-01 -0.277583D+00  0.152715D-01
               131           132           133           134           135 
      1  -0.930476D+00  0.152715D-01 -0.439306D+00  0.590268D-01  0.147920D+00
      2   0.684523D+01 -0.162563D+00  0.590268D-01 -0.580696D+00  0.933554D+00
      3  -0.162563D+00  0.115558D+01  0.147920D+00  0.933554D+00 -0.609576D-01
               136           137           138           139           140 
      1  -0.534163D+01  0.694802D+00 -0.500861D+00  0.763893D+00 -0.928817D+00
      2   0.694802D+00 -0.375992D+01  0.160680D+00 -0.928817D+00 -0.177428D+00
      3  -0.500861D+00  0.160680D+00 -0.136164D+01  0.116200D+00 -0.107018D+00
               141           142           143           144 
      1   0.116200D+00 -0.134643D+01  0.871285D-01 -0.635589D+00
      2  -0.107018D+00  0.871285D-01 -0.834829D+00  0.587067D+00
      3   0.239571D+00 -0.635589D+00  0.587067D+00 -0.497415D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.123447D+00 -0.504163D+00  0.114573D+01 -0.300948D+01  0.987656D+00
      2   0.121452D+01 -0.174839D+01 -0.533114D+01 -0.304420D+01 -0.367710D+00
      3   0.125831D+01 -0.520477D+01  0.875531D+00 -0.903131D+01 -0.643442D+01
                 6             7             8             9            10 
      1   0.808862D+01 -0.114890D+01  0.109683D+02 -0.202204D+01  0.416557D+00
      2   0.106994D+00 -0.152045D+02  0.327803D+01 -0.293601D+01 -0.265620D+00
      3   0.153271D+01  0.358415D+01  0.183116D+01 -0.175516D+01  0.737349D+01
                11            12            13            14            15 
      1   0.461641D+00 -0.728238D+00  0.242552D+00  0.178582D+01 -0.104899D+02
      2   0.271679D+00  0.346370D+01  0.160542D+00  0.616183D+00 -0.159065D+01
      3  -0.130981D+01 -0.715682D+00  0.190319D+02  0.174516D+02 -0.105424D+01
                16            17            18            19            20 
      1   0.174026D+01 -0.724986D+00  0.129807D+01  0.537473D+00 -0.153522D+00
      2  -0.244973D+01 -0.538183D+01  0.117146D+01  0.156896D+01  0.156259D+00
      3  -0.181458D+01 -0.445770D+00  0.526071D+01 -0.277921D+01 -0.748067D+01
                21            22            23            24            25 
      1  -0.161651D+00  0.580718D+00 -0.789128D+00 -0.233264D+01  0.190384D+01
      2   0.937553D+01  0.101330D+01  0.273132D+00 -0.157352D+01  0.553804D+01
      3  -0.250205D+00  0.115133D+01  0.173230D+02 -0.137805D+00 -0.112548D+01
                26            27            28            29            30 
      1   0.130828D+01  0.434004D+00  0.215613D+01  0.494630D+00  0.160158D+01
      2  -0.206832D+01  0.174900D+01 -0.207531D+01  0.167313D+00  0.221641D+01
      3  -0.151424D+01 -0.128102D+01 -0.108800D+01 -0.208684D+01 -0.142026D+00
                31            32            33            34            35 
      1   0.295998D+01  0.168650D+01 -0.155261D+01 -0.325957D+00  0.164244D+01
      2   0.186260D+01 -0.184250D+00 -0.243236D+01 -0.355770D+01 -0.763884D+00
      3   0.623471D+01  0.976104D+00 -0.454844D+00  0.317966D-01 -0.120701D+01
                36            37            38            39            40 
      1  -0.848669D+00 -0.228459D+01  0.194385D+01 -0.155342D+01  0.101974D+01
      2   0.297639D+01  0.149691D+00 -0.324232D+00  0.275672D+01 -0.163351D+01
      3   0.963200D+00  0.179484D+01 -0.102887D+01  0.436120D+00  0.711512D+01
                41            42            43            44            45 
      1  -0.187247D+00 -0.143073D+01  0.222103D+00  0.206850D+01  0.138920D+01
      2  -0.453197D+00  0.208453D+01 -0.390200D+01 -0.122859D+01  0.316971D+01
      3   0.209782D+01  0.373075D+00  0.218781D+00 -0.549214D+00 -0.264322D+00
                46            47            48            49            50 
      1   0.116164D+01 -0.514893D+01 -0.906600D+00 -0.335670D+01 -0.145790D+01
      2   0.297361D+01  0.233800D+01 -0.869634D+01  0.281439D+01  0.103116D+01
      3  -0.570531D+01  0.827360D+01 -0.128220D+01  0.947289D+00 -0.363176D+01
                51            52            53            54            55 
      1   0.630190D+01  0.274888D+01  0.140439D+02  0.104518D+01 -0.128522D+01
      2   0.202071D+01 -0.140325D+02 -0.310693D+01 -0.546669D+01  0.134251D+01
      3   0.122399D+01 -0.123117D+01  0.601880D+01 -0.796675D+00  0.956165D+01
                56            57            58            59            60 
      1   0.230285D+01  0.137719D+00  0.877216D+00 -0.376911D+00 -0.355343D+01
      2  -0.780181D+00  0.139953D+02 -0.105260D+01  0.854966D+00 -0.165952D+01
      3  -0.211815D+02  0.116468D+01 -0.152549D+01  0.902626D+01 -0.945941D+00
                61            62            63            64            65 
      1  -0.289779D+01  0.123205D+01 -0.109371D+01 -0.729491D+00 -0.113645D+00
      2   0.574288D+01  0.156115D+01  0.497473D+01  0.771474D+00  0.498197D+00
      3   0.839728D+00 -0.479483D+01  0.297806D+01  0.132389D+02 -0.121228D+02
                66            67            68            69            70 
      1  -0.270898D+01 -0.699662D+00 -0.270181D+01 -0.399623D+01 -0.108885D+01
      2   0.401543D+01 -0.787945D+00  0.229757D+00  0.194539D+01 -0.152112D+01
      3   0.429199D+00 -0.482009D+01  0.610094D+01 -0.276059D+00  0.286251D+01
                71            72            73            74            75 
      1   0.333177D+01 -0.171324D+01 -0.153807D+01 -0.756252D+00 -0.290798D+00
      2   0.122114D+01  0.970827D+00  0.372782D+00 -0.491006D+00  0.183497D+01
      3  -0.139701D+01 -0.404772D+00  0.140844D+02  0.855109D+01  0.133693D+01
                76            77            78            79            80 
      1  -0.605437D+00  0.181707D+01 -0.640123D+01 -0.121774D+00  0.111679D+01
      2   0.717105D+00 -0.258659D-01 -0.227389D+01 -0.294676D+01  0.135094D+00
      3   0.101772D+02  0.912642D+01  0.239848D-01  0.257522D+01  0.207164D+01
                81            82            83            84            85 
      1   0.346085D+00  0.277164D+00  0.107726D+01 -0.742126D+00 -0.370123D+00
      2  -0.264546D+00  0.386790D+00 -0.461491D+00  0.375842D+01 -0.555460D+00
      3   0.115049D+01  0.249116D+02 -0.685830D+01  0.752948D-01  0.574597D+01
                86            87            88            89            90 
      1  -0.104546D+01 -0.800525D+01 -0.197793D+01 -0.256004D+01 -0.304105D+00
      2  -0.243589D+00  0.246288D+00 -0.901867D+00  0.419984D+01  0.522706D+00
      3  -0.865533D+01 -0.321309D-01  0.138261D+01 -0.163345D+01 -0.341989D+01
                91            92            93            94            95 
      1  -0.681314D-01  0.211621D+00  0.798018D+00  0.544800D+00 -0.779746D+00
      2  -0.196058D+01  0.791473D-01 -0.987133D-01 -0.283603D-01 -0.723327D+00
      3  -0.108139D+01 -0.424209D+00 -0.488731D+00  0.100770D+01 -0.415868D+00
                96            97            98            99           100 
      1  -0.962916D-01  0.305306D+00  0.315060D+01  0.262759D+01 -0.196706D+00
      2   0.170714D+00 -0.351133D+01  0.362958D+00 -0.459614D+01 -0.200278D+01
      3   0.635996D+00 -0.991703D+00  0.144551D+01 -0.946375D+00  0.630389D+00
               101           102           103           104           105 
      1   0.264776D+00 -0.758943D+00  0.147511D+00 -0.170117D+00 -0.481716D-01
      2  -0.232572D+00 -0.103683D+00  0.201727D+00 -0.479635D+00 -0.150031D+00
      3  -0.106497D+01  0.548924D+00  0.684632D+00 -0.368864D+00  0.700405D+00
               106           107           108           109           110 
      1  -0.489958D+00  0.306692D+01 -0.321878D+01 -0.700387D+00 -0.126760D+00
      2  -0.414088D+01  0.179983D+00 -0.479363D+01 -0.890642D+00  0.161762D+00
      3   0.595636D+00  0.696461D+00  0.360879D+00 -0.308588D+02  0.888843D+01
               111           112           113           114           115 
      1   0.108539D+01 -0.642722D-01  0.292788D-01 -0.565792D+00  0.201838D+00
      2  -0.319415D+01  0.155575D+00 -0.252533D+00  0.334150D+00 -0.320669D+01
      3   0.271333D+00  0.451805D+01 -0.227149D+01  0.231193D+00 -0.132713D+01
               116           117           118           119           120 
      1   0.375551D+00  0.198567D+00  0.385225D+00 -0.172174D+00 -0.975696D+00
      2   0.584668D+00  0.713524D-01  0.316182D-01 -0.158584D+00  0.108056D+01
      3   0.352668D+00 -0.263036D+00 -0.525509D+01 -0.160809D+01 -0.131860D+00
               121           122           123           124           125 
      1  -0.109943D-01  0.800053D+00  0.113417D-01  0.194425D+00  0.138476D+01
      2   0.265901D-01  0.116995D+00  0.289626D+01  0.630990D+00  0.176853D+01
      3  -0.201918D+01 -0.223883D+02 -0.120072D+00 -0.157867D+00  0.465718D+00
               126           127           128           129           130 
      1   0.614912D-01 -0.113701D+00 -0.418762D-01  0.108652D+01 -0.145567D+00
      2   0.388315D-01 -0.524589D+00  0.121358D+00 -0.634260D+00  0.385524D+00
      3  -0.110086D+01 -0.106360D+02  0.631776D+01  0.976916D-01  0.100151D+02
               131           132           133           134           135 
      1   0.262471D+00 -0.283086D+01 -0.305540D+00 -0.982997D+00  0.159691D+00
      2  -0.364999D+00  0.806439D+00 -0.149758D+01  0.878766D+00  0.184938D+00
      3  -0.131867D+02  0.169357D+00 -0.157489D+01  0.807324D+00 -0.596640D+00
               136           137           138           139           140 
      1   0.210556D+01  0.260694D+00  0.297150D+01  0.585594D+00  0.638109D+00
      2   0.211686D+00 -0.958997D-01  0.252180D+01 -0.235270D+00 -0.270906D-01
      3  -0.157828D+02 -0.118514D+02 -0.172666D+01 -0.406484D+01 -0.441659D+01
               141           142           143           144 
      1  -0.592581D-01  0.137301D+01  0.769496D+00  0.114234D+01
      2  -0.931498D+00 -0.207379D+00 -0.195341D+01  0.922389D+00
      3  -0.564949D+00 -0.386761D+01 -0.214775D+01  0.115403D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.251570D+02  0.298161D+01 -0.360857D+00 -0.530561D+00  0.245289D+02
      2   0.150684D+02 -0.562008D+01  0.152148D+01  0.198026D+01 -0.308809D+02
      3   0.100886D+02  0.263847D+01 -0.116063D+01 -0.144970D+01  0.635209D+01
      4  -0.453415D+01  0.188258D+01  0.577492D-01 -0.365058D+01  0.977174D+01
      5  -0.107839D+01 -0.654378D+00 -0.839357D+01 -0.604967D+00  0.162335D+00
      6  -0.331621D+00  0.457555D+00 -0.341302D+01  0.101575D+01 -0.133568D+01
                 6             7             8             9            10 
      1  -0.126181D+01 -0.537882D+01 -0.243827D+01 -0.419746D+01 -0.261601D+01
      2  -0.200695D+00  0.355310D+01  0.271922D+01 -0.694899D+01  0.583404D+01
      3   0.146251D+01  0.182572D+01 -0.280950D+00  0.111465D+02 -0.321803D+01
      4  -0.380166D+00  0.228222D+01 -0.183044D+01  0.138083D+00 -0.221409D+01
      5  -0.199738D+01  0.400497D+01  0.150820D+01 -0.321130D+01  0.508618D+00
      6  -0.966337D+01 -0.754139D+00  0.259373D+01  0.210386D+01 -0.247848D+00
                11            12            13            14            15 
      1  -0.879034D+01  0.289970D+00 -0.131132D+02 -0.361674D+02  0.212827D+00
      2   0.816748D+01 -0.301330D+00  0.775056D+01  0.533371D+02 -0.467568D-01
      3   0.622860D+00  0.113604D-01  0.536261D+01 -0.171697D+02 -0.166070D+00
      4   0.152888D+02 -0.544371D+00  0.149640D+02 -0.265658D+02  0.506558D+00
      5  -0.722007D-01  0.520679D+01  0.244436D+00 -0.135350D+00 -0.326493D+01
      6  -0.156519D-01  0.163687D+01 -0.105031D+01  0.125944D+01  0.159848D+02
                16            17            18            19            20 
      1   0.659162D+00  0.140355D+01 -0.979981D+01  0.690334D+02 -0.228875D+01
      2  -0.100569D+01 -0.120134D+01  0.768915D+01 -0.416092D+02  0.161259D+01
      3   0.346526D+00 -0.202205D+00  0.211066D+01 -0.274241D+02  0.676155D+00
      4  -0.623889D+00  0.282703D+00 -0.746048D+01 -0.409520D+01  0.859494D+01
      5   0.310851D+01 -0.861896D+01  0.122798D+01  0.117128D+01  0.721101D+00
      6   0.729043D+00  0.141966D+02 -0.158073D+01  0.658261D+00 -0.239504D+00
                21            22            23            24            25 
      1   0.141930D+01 -0.110717D+02  0.244048D+01  0.168055D+00  0.454958D+01
      2  -0.843522D+00  0.550274D+01  0.416082D+00  0.146947D+00 -0.345683D+01
      3  -0.575774D+00  0.556900D+01 -0.285656D+01 -0.315002D+00 -0.109275D+01
      4   0.534096D+00  0.112028D+02 -0.189785D+02  0.852982D+00  0.183738D-01
      5   0.178253D+02  0.136952D+00  0.670036D+00 -0.141532D+01  0.196924D+02
      6   0.746312D-01  0.389517D+00 -0.273899D+00  0.431321D+01 -0.212244D+01
                26            27            28            29            30 
      1   0.737451D+00  0.107939D+02 -0.279697D+00  0.364659D+01  0.256320D+01
      2   0.180715D+00 -0.107409D+02  0.809010D+00 -0.982000D+01  0.241022D+01
      3  -0.918166D+00 -0.530702D-01 -0.529313D+00  0.617342D+01 -0.497343D+01
      4   0.853503D+00 -0.210870D+01 -0.579206D+01 -0.517590D+01 -0.125683D+01
      5   0.805522D-01  0.330251D+01 -0.224158D+01  0.780543D-01 -0.773688D+00
      6   0.339682D+01 -0.656540D+00  0.130618D+01 -0.195130D+01 -0.569940D+00
                31            32            33            34            35 
      1  -0.265220D+01 -0.166638D+01  0.137443D+01  0.160884D+01 -0.270795D+01
      2  -0.321201D+01 -0.255997D+01 -0.497955D+00  0.192362D+01 -0.448466D+01
      3   0.586421D+01  0.422635D+01 -0.876474D+00 -0.353246D+01  0.719261D+01
      4  -0.102199D+02 -0.129292D+02  0.473674D+00 -0.607288D+01  0.280313D+00
      5   0.169057D+00 -0.605849D+00 -0.311512D+01  0.184188D+01  0.156954D+01
      6   0.334223D+00 -0.138092D+00 -0.260526D+01  0.339775D+01  0.116260D-01
                36            37            38            39            40 
      1   0.109762D+02  0.252842D+01 -0.479495D+01  0.413746D+01  0.412280D+01
      2   0.865897D+01 -0.187478D+01  0.806761D+01  0.155062D+01  0.319883D+00
      3  -0.196351D+02 -0.653645D+00 -0.327266D+01 -0.568807D+01 -0.444268D+01
      4   0.257143D+01  0.339508D+01 -0.459156D+01 -0.363148D-01 -0.837483D+01
      5   0.295411D+01  0.305215D+00 -0.725157D+00  0.567876D-01  0.196978D+00
      6   0.938865D+01 -0.164988D+01 -0.242339D+00  0.197453D+01  0.186900D+01
                41            42            43            44            45 
      1  -0.353990D-01 -0.179559D+01  0.642162D+01  0.156994D+01  0.114135D+02
      2  -0.628974D+01 -0.183736D+01  0.927680D+00  0.143627D+01  0.963635D+01
      3   0.632514D+01  0.363295D+01 -0.734930D+01 -0.300621D+01 -0.210498D+02
      4   0.598929D+01  0.987838D+00  0.250742D+01 -0.945449D+00 -0.421669D+01
      5  -0.172337D+00  0.289603D+01  0.130982D+01 -0.245251D+01  0.290252D+01
      6  -0.750600D+00 -0.198952D+01 -0.347097D+01  0.233171D+01 -0.894374D+01
                46            47            48            49            50 
      1  -0.503473D+02  0.154050D+01 -0.249357D+01  0.191164D+02  0.182464D+02
      2   0.322719D+02  0.311988D+01  0.580476D+01 -0.129001D+02 -0.205718D+02
      3   0.180754D+02 -0.466038D+01 -0.331119D+01 -0.621624D+01  0.232539D+01
      4   0.532143D+01 -0.120567D+02 -0.646949D-01  0.475010D+01  0.192958D+01
      5  -0.594630D+01  0.862284D+00 -0.133891D+02  0.285316D+01  0.193258D+01
      6  -0.515884D+00 -0.307091D+00  0.296473D+01  0.226223D+01  0.199809D+01
                51            52            53            54            55 
      1   0.100161D+01 -0.117688D+02  0.132882D+01 -0.821554D+01  0.101441D+03
      2  -0.235279D+00  0.861425D+01  0.690103D+00 -0.325592D+01 -0.609447D+02
      3  -0.766329D+00  0.315450D+01 -0.201893D+01  0.114715D+02 -0.404967D+02
      4   0.212125D+01  0.591387D+00 -0.336537D+01  0.138283D+01 -0.170228D+01
      5   0.530409D+01  0.173381D+01  0.449501D+00 -0.715997D+01  0.817575D+01
      6  -0.932084D+01 -0.580523D+00  0.262932D+01 -0.539465D+00  0.263905D+00
                56            57            58            59            60 
      1  -0.686564D+01  0.559119D+01 -0.106871D+02  0.689663D+01 -0.532368D+00
      2   0.498619D+01 -0.566735D+01  0.808492D+01 -0.191479D+00  0.703990D+00
      3   0.187945D+01  0.761580D-01  0.260222D+01 -0.670515D+01 -0.171621D+00
      4   0.244638D+02 -0.408486D+00  0.176407D+02 -0.541464D+01  0.203494D+01
      5  -0.116210D+01  0.242750D+02 -0.110733D+01  0.173224D+01 -0.422769D+01
      6   0.436701D+00 -0.318669D+00  0.907709D+00  0.277517D+00  0.573701D+01
                61            62            63            64            65 
      1   0.948272D+01 -0.112857D+01  0.161886D+02  0.135528D+02 -0.118162D+02
      2  -0.830867D+01  0.146661D+00 -0.148248D+02 -0.562306D+01  0.211587D+02
      3  -0.117405D+01  0.981911D+00 -0.136379D+01 -0.792975D+01 -0.934249D+01
      4  -0.112556D+01  0.438370D+01 -0.181926D-01  0.159442D+02  0.188818D+02
      5   0.263119D+02 -0.152531D+01  0.110665D+02  0.137366D+01  0.346908D-01
      6   0.263900D+01  0.386272D+01  0.112145D+01  0.127999D+01 -0.224468D+00
                66            67            68            69            70 
      1   0.280509D+00 -0.750494D+01  0.445467D+01 -0.323483D+01  0.253115D+01
      2  -0.215062D+01  0.132700D+02  0.201524D+01  0.539105D+00 -0.100211D+01
      3   0.187011D+01 -0.576508D+01 -0.646991D+01  0.269573D+01 -0.152904D+01
      4   0.132028D+01  0.177546D+02  0.188033D+02  0.932280D+00  0.506684D+01
      5   0.752642D+01  0.789857D-01  0.112697D+01  0.342875D+01  0.598054D+01
      6   0.363557D+01 -0.966062D+00  0.293286D+01  0.685782D+01  0.370017D+01
                71            72            73            74            75 
      1  -0.224175D+01 -0.308606D+01 -0.553381D+01 -0.263233D+01 -0.231920D+01
      2   0.575508D+01 -0.138544D+01  0.564990D+01  0.686820D+00 -0.111709D+01
      3  -0.351333D+01  0.447150D+01 -0.116084D+00  0.194551D+01  0.343629D+01
      4   0.415626D+01  0.460329D+01  0.378110D+01  0.100139D+01  0.201162D+01
      5   0.345448D+01  0.142519D+01 -0.154342D+01  0.746224D+00  0.439813D+01
      6   0.694098D+01  0.221637D+01  0.180939D+01 -0.773515D+00  0.477279D+00
                76            77            78            79            80 
      1  -0.211124D+01 -0.200164D+02  0.214156D+01 -0.965169D+00 -0.139233D+01
      2  -0.251994D+01  0.334616D+02  0.165220D+01  0.945668D+00 -0.608794D+00
      3   0.463118D+01 -0.134451D+02 -0.379377D+01  0.195006D-01  0.200112D+01
      4   0.155608D+02 -0.248890D+02 -0.117690D+01  0.171804D+01 -0.481275D+00
      5  -0.669082D-02 -0.905217D+00 -0.472277D+01  0.358902D+01 -0.298157D+01
      6  -0.198471D+01  0.776638D+00  0.102998D+02 -0.151891D+01  0.795048D+01
                81            82            83            84            85 
      1  -0.551723D+01  0.121301D+02  0.465502D+01  0.560496D+00 -0.400073D+01
      2   0.183218D+01 -0.391312D+01 -0.253716D+01 -0.704015D+00  0.367477D+01
      3   0.368505D+01 -0.821698D+01 -0.211786D+01  0.143519D+00  0.325958D+00
      4  -0.317616D+01  0.211281D+02  0.212015D+02 -0.800607D+00  0.830659D+01
      5  -0.281350D+00  0.354673D+00 -0.786786D+00  0.697849D+01 -0.148113D+01
      6   0.950464D+00  0.479844D+00 -0.333688D+00  0.265967D+00 -0.193562D+01
                86            87            88            89            90 
      1  -0.267475D+02  0.258669D+00  0.257116D+00 -0.576648D+00 -0.802967D+01
      2   0.402229D+02 -0.380698D+00 -0.133418D+01  0.831857D-01  0.519639D+01
      3  -0.134754D+02  0.122028D+00  0.107706D+01  0.493462D+00  0.283327D+01
      4   0.202345D+02 -0.149793D+01 -0.187745D+00  0.295569D+00  0.664051D+01
      5  -0.212377D+01  0.157445D+01  0.409330D+01  0.696735D+01 -0.218946D+00
      6  -0.243425D+01  0.145658D+02  0.166336D+00  0.129500D+02 -0.622997D+00
                91            92            93            94            95 
      1  -0.172399D+01 -0.205799D-02 -0.340375D+01 -0.510768D+00 -0.332600D+01
      2  -0.288268D+01  0.372906D+00 -0.108286D+01  0.185691D+00  0.320315D+00
      3   0.460667D+01 -0.370848D+00  0.448661D+01  0.325077D+00  0.300569D+01
      4  -0.822118D+00  0.193219D+01 -0.133160D+01  0.269992D+01  0.122415D+01
      5   0.270027D+00 -0.607318D+00  0.515087D+01 -0.139856D+00 -0.612702D+00
      6  -0.181033D+01  0.857727D+00 -0.198741D+01  0.280789D+00 -0.201289D+01
                96            97            98            99           100 
      1   0.189423D+01 -0.385230D+01  0.332762D+01 -0.205368D+02 -0.222171D+01
      2  -0.137795D+01 -0.105120D+01 -0.967423D+00 -0.157751D+02 -0.280943D+01
      3  -0.516282D+00  0.490350D+01 -0.236020D+01  0.363118D+02  0.503114D+01
      4  -0.124348D+01 -0.102560D+01 -0.273344D+01 -0.254816D+00  0.120686D+01
      5   0.584522D+00  0.373439D+01  0.174362D+00 -0.598658D+01  0.407864D+00
      6   0.677492D+01 -0.106738D+01  0.537367D+01 -0.106734D+02  0.162625D+01
               101           102           103           104           105 
      1   0.543207D+00 -0.356969D+01  0.826743D+00 -0.304333D+01 -0.108130D+01
      2  -0.431740D+00 -0.109401D+01 -0.242492D+00 -0.144826D+00  0.197516D+01
      3  -0.111467D+00  0.466370D+01 -0.584251D+00  0.318816D+01 -0.893863D+00
      4   0.256060D+01  0.121810D+01  0.239222D+01 -0.264155D+00 -0.118660D+01
      5   0.240995D+00  0.567156D+01 -0.184930D+00 -0.480272D+00 -0.241621D+00
      6   0.702302D+00  0.164852D+01  0.784353D+00  0.120564D+01  0.659855D+01
               106           107           108           109           110 
      1  -0.562189D+01 -0.197431D+01 -0.222847D+02 -0.134016D+02  0.379126D+01
      2  -0.121181D+01  0.229790D+01 -0.164779D+02  0.679130D+01 -0.472259D+01
      3   0.683371D+01 -0.323594D+00  0.387626D+02  0.661027D+01  0.931324D+00
      4   0.159092D+01 -0.232920D+01  0.116738D+01 -0.174867D+02 -0.138176D+02
      5   0.393965D+01  0.101958D+00 -0.590269D+01 -0.606213D+00  0.453432D+00
      6   0.141518D+01  0.475635D+01  0.951298D+01 -0.625695D+00  0.360181D+00
               111           112           113           114           115 
      1  -0.543330D+00  0.169211D+01 -0.611579D+01  0.351723D+00  0.124881D+00
      2   0.145188D-01 -0.161308D+01  0.826146D+01 -0.340708D+00 -0.507318D-01
      3   0.528812D+00 -0.790292D-01 -0.214566D+01 -0.110152D-01 -0.741488D-01
      4   0.432708D+00  0.625210D+00  0.154448D+01  0.118221D+00 -0.475841D+00
      5  -0.576785D+01  0.401884D-01 -0.292289D+00  0.511835D+00  0.324192D+00
      6  -0.139751D+01  0.309957D+00 -0.492756D+00  0.159590D+01 -0.152046D+00
               116           117           118           119           120 
      1   0.714381D+00 -0.257176D+01  0.111154D+02  0.782321D+01  0.602041D-01
      2  -0.625278D+00  0.871934D+00 -0.495137D+01 -0.368249D+01  0.108438D+00
      3  -0.891034D-01  0.169983D+01 -0.616406D+01 -0.414072D+01 -0.168642D+00
      4   0.319488D+00  0.555775D+00  0.875817D+01  0.639630D+01  0.138971D-01
      5   0.889737D+00  0.224253D+00 -0.195397D+00  0.363482D-01  0.248850D+01
      6   0.283125D+01 -0.576115D+00 -0.605468D-03  0.517052D-01  0.142962D+01
               121           122           123           124           125 
      1   0.226177D+02  0.503661D+01  0.563948D+00 -0.960770D+00  0.103645D+00
      2  -0.132942D+02 -0.167020D+01 -0.589028D+00  0.417694D+00 -0.262729D+00
      3  -0.932345D+01 -0.336641D+01  0.250800D-01  0.543076D+00  0.159084D+00
      4   0.795941D+01  0.233991D+02 -0.135511D+00 -0.271386D-01 -0.223548D+00
      5   0.503697D+00 -0.259902D+00  0.467014D+01  0.499677D+01  0.287350D+01
      6   0.506777D-01  0.412585D+00 -0.122641D+00  0.760721D+00  0.171769D+01
               126           127           128           129           130 
      1   0.201251D+01 -0.442717D+01  0.987521D+01 -0.705323D+00  0.746289D+01
      2  -0.220704D+01  0.454482D+01 -0.132825D+02  0.170837D+00 -0.697180D+01
      3   0.194529D+00 -0.117655D+00  0.340731D+01  0.534486D+00 -0.491086D+00
      4   0.293544D+01 -0.400044D+01 -0.132892D+01 -0.164443D+00  0.384339D+01
      5   0.225210D+00 -0.176129D+00  0.102656D+00 -0.982931D+00  0.412075D-01
      6   0.617774D-01 -0.520872D+00  0.990000D+00 -0.136963D+01  0.645523D-01
               131           132           133           134           135 
      1  -0.226910D+02  0.759401D+00 -0.453906D+00  0.205204D+01 -0.363158D+01
      2   0.339006D+02 -0.106706D+01  0.590812D+00 -0.233375D+01  0.333455D+01
      3  -0.112096D+02  0.307654D+00 -0.136906D+00  0.281712D+00  0.297030D+00
      4   0.857198D+01 -0.391932D+00 -0.658280D+00 -0.762309D+00  0.949471D+00
      5  -0.748533D+00  0.182338D+01  0.111179D+01  0.992457D+00  0.378983D+00
      6  -0.200474D+01  0.465227D+01 -0.985258D-01  0.589480D+01 -0.686364D+00
               136           137           138           139           140 
      1   0.163503D+02  0.322041D+01  0.197134D+01 -0.409947D+01  0.461675D+01
      2  -0.658276D+01 -0.851895D+01 -0.359058D+00  0.871593D+00 -0.244850D+01
      3  -0.976756D+01  0.529854D+01 -0.161228D+01  0.322787D+01 -0.216825D+01
      4  -0.182228D+02  0.151502D+02 -0.197774D+01  0.487836D+01 -0.176172D+01
      5   0.182881D+01 -0.264494D+00  0.365189D+01 -0.739753D+00  0.712072D+00
      6  -0.172109D+01  0.231381D+00 -0.505153D+01  0.276401D+00 -0.416518D+00
               141           142           143           144 
      1  -0.156120D+00  0.162758D+01  0.188682D+01  0.537473D+00
      2   0.227212D+00 -0.129058D+01 -0.216073D+01 -0.155191D+01
      3  -0.710926D-01 -0.336998D+00  0.273912D+00  0.101444D+01
      4   0.593241D+00 -0.357827D+01  0.209951D+01 -0.370916D+01
      5  -0.180835D+01  0.455980D+01 -0.281822D+01  0.166202D+01
      6   0.244139D+00 -0.237819D+01  0.294553D+01 -0.207288D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:29:29 2021, MaxMem= 10737418240 cpu:           10081.9 elap:             630.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.23776 -19.20705 -19.20314 -19.19195 -19.18105
 Alpha  occ. eigenvalues --  -19.16228 -10.37206 -10.34445 -10.30296 -10.28979
 Alpha  occ. eigenvalues --   -1.16737  -1.13467  -1.09745  -1.08001  -1.06652
 Alpha  occ. eigenvalues --   -1.04008  -0.81183  -0.72035  -0.67044  -0.63541
 Alpha  occ. eigenvalues --   -0.61495  -0.58883  -0.56357  -0.52743  -0.50963
 Alpha  occ. eigenvalues --   -0.50632  -0.47942  -0.47180  -0.45482  -0.44252
 Alpha  occ. eigenvalues --   -0.43234  -0.42258  -0.37824  -0.37580  -0.35544
 Alpha  occ. eigenvalues --   -0.34304  -0.33063  -0.31548  -0.30917
 Alpha virt. eigenvalues --   -0.05561  -0.03128  -0.02079  -0.00223   0.00021
 Alpha virt. eigenvalues --    0.00293   0.02744   0.03574   0.04628   0.05596
 Alpha virt. eigenvalues --    0.05865   0.06441   0.07215   0.07636   0.08123
 Alpha virt. eigenvalues --    0.08936   0.09458   0.10319   0.10502   0.10630
 Alpha virt. eigenvalues --    0.11074   0.11831   0.12056   0.12834   0.13025
 Alpha virt. eigenvalues --    0.14178   0.14952   0.15705   0.17032   0.18412
 Alpha virt. eigenvalues --    0.19134   0.19690   0.20038   0.20224   0.20527
 Alpha virt. eigenvalues --    0.21031   0.21612   0.22089   0.22879   0.23148
 Alpha virt. eigenvalues --    0.23749   0.23985   0.24343   0.25649   0.26230
 Alpha virt. eigenvalues --    0.26567   0.26878   0.27430   0.27697   0.28651
 Alpha virt. eigenvalues --    0.30054   0.30240   0.31194   0.31804   0.32155
 Alpha virt. eigenvalues --    0.32612   0.33436   0.34077   0.35064   0.36111
 Alpha virt. eigenvalues --    0.36955   0.37561   0.38661   0.38991   0.39777
 Alpha virt. eigenvalues --    0.41176   0.41870   0.43595   0.44617   0.45502
 Alpha virt. eigenvalues --    0.46200   0.47125   0.48042   0.48863   0.51089
 Alpha virt. eigenvalues --    0.51495   0.53048   0.53507   0.54906   0.55944
 Alpha virt. eigenvalues --    0.56521   0.57587   0.57791   0.59389   0.60101
 Alpha virt. eigenvalues --    0.61317   0.62485   0.64424   0.64767   0.66274
 Alpha virt. eigenvalues --    0.67848   0.68305   0.69352   0.70285   0.70605
 Alpha virt. eigenvalues --    0.72969   0.75279   0.76330   0.77807   0.78248
 Alpha virt. eigenvalues --    0.79456   0.79957   0.81300   0.83788   0.84402
 Alpha virt. eigenvalues --    0.85068   0.85943   0.87197   0.88186   0.90687
 Alpha virt. eigenvalues --    0.92385   0.92877   0.94510   0.95086   0.96246
 Alpha virt. eigenvalues --    0.97512   0.99935   1.00394   1.01194   1.02146
 Alpha virt. eigenvalues --    1.02737   1.03931   1.05749   1.06303   1.07972
 Alpha virt. eigenvalues --    1.09839   1.10452   1.11652   1.14627   1.15311
 Alpha virt. eigenvalues --    1.16159   1.16942   1.18539   1.18977   1.23838
 Alpha virt. eigenvalues --    1.25436   1.26691   1.27806   1.28374   1.30556
 Alpha virt. eigenvalues --    1.32358   1.33084   1.34224   1.38284   1.39701
 Alpha virt. eigenvalues --    1.41900   1.42709   1.43123   1.45571   1.47562
 Alpha virt. eigenvalues --    1.49144   1.50617   1.51787   1.53852   1.56371
 Alpha virt. eigenvalues --    1.57905   1.59326   1.60160   1.62488   1.65764
 Alpha virt. eigenvalues --    1.67790   1.71231   1.72215   1.74001   1.75093
 Alpha virt. eigenvalues --    1.76418   1.78874   1.79842   1.81478   1.83064
 Alpha virt. eigenvalues --    1.85569   1.86119   1.89042   1.91580   1.92798
 Alpha virt. eigenvalues --    1.94899   1.98614   1.98996   2.00961   2.03741
 Alpha virt. eigenvalues --    2.06082   2.06767   2.08591   2.11732   2.13910
 Alpha virt. eigenvalues --    2.16468   2.19665   2.21102   2.26150   2.28282
 Alpha virt. eigenvalues --    2.30275   2.30978   2.34983   2.37185   2.40186
 Alpha virt. eigenvalues --    2.42700   2.46825   2.50463   2.51066   2.52354
 Alpha virt. eigenvalues --    2.55136   2.59235   2.64415   2.69026   2.74130
 Alpha virt. eigenvalues --    2.81455   2.83930   2.91668   2.95909   2.98600
 Alpha virt. eigenvalues --    3.03838   3.10665   3.13691   3.24357   3.28222
 Alpha virt. eigenvalues --    3.30949   3.31807   3.33919   3.34619   3.36966
 Alpha virt. eigenvalues --    3.37266   3.38583   3.40696   3.41874   3.42346
 Alpha virt. eigenvalues --    3.42909   3.44199   3.44433   3.45618   3.49141
 Alpha virt. eigenvalues --    3.49672   3.52377   3.56548   3.58290   3.61957
 Alpha virt. eigenvalues --    3.65262   3.67453   3.72954   3.76996   3.79998
 Alpha virt. eigenvalues --    3.81547   3.94539   4.03440   4.05034   4.08894
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.448907   0.219610  -0.172231  -0.654792  -0.365836   0.024416
     2  O    0.219610   8.458058  -0.145013   0.024943   0.034741  -0.020004
     3  O   -0.172231  -0.145013   8.331997   0.083743   0.031790  -0.006189
     4  C   -0.654792   0.024943   0.083743   6.381730   0.013062  -0.333209
     5  C   -0.365836   0.034741   0.031790   0.013062   6.241377  -0.584869
     6  C    0.024416  -0.020004  -0.006189  -0.333209  -0.584869   6.372023
     7  O   -0.010468  -0.000966   0.000492   0.041703   0.002772   0.243966
     8  O    0.035108  -0.009212  -0.040734  -0.271359   0.181797   0.000155
     9  O    0.008604  -0.003457  -0.002089   0.106988  -0.120338   0.036900
    10  O   -0.023393  -0.035521  -0.002190   0.037118   0.142265  -0.191252
    11  H   -0.117948   0.000055   0.033610  -0.375793   0.060966  -0.017940
    12  H   -0.001803   0.016148   0.002573  -0.032900  -0.301073  -0.068585
    13  H   -0.061783   0.049420   0.004874   0.015581  -0.047125  -0.103138
    14  H   -0.017446   0.017243   0.285476  -0.079186  -0.016390   0.001185
    15  H   -0.016261   0.001892   0.001698   0.056453  -0.069126  -0.006455
    16  H   -0.000799   0.000556   0.000340   0.018912  -0.061274  -0.076376
               7          8          9         10         11         12
     1  C   -0.010468   0.035108   0.008604  -0.023393  -0.117948  -0.001803
     2  O   -0.000966  -0.009212  -0.003457  -0.035521   0.000055   0.016148
     3  O    0.000492  -0.040734  -0.002089  -0.002190   0.033610   0.002573
     4  C    0.041703  -0.271359   0.106988   0.037118  -0.375793  -0.032900
     5  C    0.002772   0.181797  -0.120338   0.142265   0.060966  -0.301073
     6  C    0.243966   0.000155   0.036900  -0.191252  -0.017940  -0.068585
     7  O    8.331694  -0.001640  -0.044901  -0.105505   0.001571   0.012828
     8  O   -0.001640   8.407247  -0.036335  -0.001108  -0.046237  -0.007717
     9  O   -0.044901  -0.036335   8.474163  -0.021709  -0.039836  -0.135396
    10  O   -0.105505  -0.001108  -0.021709   8.415410  -0.003601  -0.017018
    11  H    0.001571  -0.046237  -0.039836  -0.003601   1.779192   0.136489
    12  H    0.012828  -0.007717  -0.135396  -0.017018   0.136489   1.768524
    13  H    0.016004   0.004010   0.003001   0.222988   0.003871   0.011502
    14  H    0.000022   0.041145  -0.000262  -0.000380  -0.001216  -0.000262
    15  H    0.000592   0.315917   0.019572   0.001291  -0.044838  -0.000458
    16  H    0.046709   0.001284   0.304906   0.004849   0.011468   0.018659
              13         14         15         16
     1  C   -0.061783  -0.017446  -0.016261  -0.000799
     2  O    0.049420   0.017243   0.001892   0.000556
     3  O    0.004874   0.285476   0.001698   0.000340
     4  C    0.015581  -0.079186   0.056453   0.018912
     5  C   -0.047125  -0.016390  -0.069126  -0.061274
     6  C   -0.103138   0.001185  -0.006455  -0.076376
     7  O    0.016004   0.000022   0.000592   0.046709
     8  O    0.004010   0.041145   0.315917   0.001284
     9  O    0.003001  -0.000262   0.019572   0.304906
    10  O    0.222988  -0.000380   0.001291   0.004849
    11  H    0.003871  -0.001216  -0.044838   0.011468
    12  H    0.011502  -0.000262  -0.000458   0.018659
    13  H    0.665234  -0.000569  -0.000392  -0.001682
    14  H   -0.000569   0.607503   0.000499  -0.000113
    15  H   -0.000392   0.000499   0.613993   0.002806
    16  H   -0.001682  -0.000113   0.002806   0.616087
 Mulliken charges:
               1
     1  C    0.706115
     2  O   -0.608493
     3  O   -0.408145
     4  C    0.967006
     5  C    0.857263
     6  C    0.729373
     7  O   -0.534874
     8  O   -0.572319
     9  O   -0.549810
    10  O   -0.422242
    11  H   -0.379811
    12  H   -0.401509
    13  H    0.218206
    14  H    0.162753
    15  H    0.122819
    16  H    0.113668
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.706115
     2  O   -0.608493
     3  O   -0.245392
     4  C    0.587195
     5  C    0.455754
     6  C    0.729373
     7  O   -0.534874
     8  O   -0.449501
     9  O   -0.436142
    10  O   -0.204035
 Electronic spatial extent (au):  <R**2>=           1456.0370
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.5941    Y=              2.9004    Z=             -0.2207  Tot=              3.8975
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.1137   YY=            -62.0900   ZZ=            -55.1550
   XY=              1.6386   XZ=             -2.1488   YZ=             -1.1485
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.3275   YY=             -0.3038   ZZ=              6.6313
   XY=              1.6386   XZ=             -2.1488   YZ=             -1.1485
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             31.6430  YYY=             16.6071  ZZZ=             -0.2044  XYY=              1.9395
  XXY=             22.9483  XXZ=              1.5692  XZZ=              0.6697  YZZ=             -0.2885
  YYZ=             -2.2595  XYZ=              1.5471
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1169.3878 YYYY=           -556.7893 ZZZZ=            -75.5652 XXXY=              6.9811
 XXXZ=             -9.3446 YYYX=             10.7162 YYYZ=             -5.8346 ZZZX=             -0.8159
 ZZZY=             -0.5457 XXYY=           -287.0767 XXZZ=           -192.9441 YYZZ=           -110.1702
 XXYZ=             -2.8303 YYXZ=              2.0854 ZZXY=             -0.4386
 N-N= 5.799848941777D+02 E-N=-2.586635510898D+03  KE= 6.041618102288D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:29:29 2021, MaxMem= 10737418240 cpu:               5.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.01689278D+00 1.18412649D+00-9.38804386D-02
 Polarizability= 8.17975500D+01 4.85168438D-01 7.24905273D+01
                 2.31743696D+00-9.28608424D-01 4.74490445D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.3041   -1.3042        0.3329    0.3325
 2      1.3041    1.3042        0.4986    0.4983       -4.9768   -4.9747
 3     -0.3329   -0.3325       18.2076   18.2051       -0.4983   -0.4983
 4     -0.4986   -0.4983        0.0000    0.0000       -0.3328   -0.3325
 5    -13.2308  -13.2304        0.3328    0.3325       -1.3047   -1.3042
 6      0.4983    0.4983        1.3047    1.3042        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.9127    3.9127        0.9976    0.9976
 2     -1.4950   -1.4950        0.0000    0.0000        0.9976    0.9976
 3     -1.4950   -1.4950        3.9127    3.9127        0.0000    0.0000
 4      3.9127    3.9127        1.4950    1.4950      -14.9242  -14.9242
 5     -0.9976   -0.9976       54.6153   54.6153       -1.4950   -1.4950
 6    -39.6912  -39.6912        0.9976    0.9976       -3.9127   -3.9127
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0221    0.0000        5.2542    5.2169       -1.3115   -1.3301
 2     -5.2211   -5.2169       -1.9886   -1.9933       19.8389   19.8989
 3      1.3145    1.3301      -72.8765  -72.8204        1.9956    1.9933
 4      2.0305    1.9933        0.0152    0.0000        1.3285    1.3301
 5     52.9167   52.9215       -1.3502   -1.3301        5.2265    5.2169
 6     -1.9891   -1.9933       -5.2448   -5.2169       -0.0121    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0382    0.0000      -18.6312  -18.7338        4.0200    3.9970
 2     18.6668   18.7338       -4.6342   -4.7222        8.1548    8.1439
 3     -4.0324   -3.9970       -6.3211   -6.3212        4.8432    4.7222
 4      4.6809    4.7222       -0.0265    0.0000       -4.0009   -3.9970
 5     -1.7868   -1.8227        4.0333    3.9970      -18.7562  -18.7338
 6     -4.7067   -4.7222       18.6481   18.7338       -0.0216    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -2.2064   -2.1703       -0.8954   -0.7969       -9.5079   -9.5000
 2      0.4577    0.4812      -20.9513  -20.9713       -9.4777   -9.5000
 3      0.4548    0.4812       -0.8472   -0.7969      -14.2054  -14.2103
 4     20.0904   20.1744       -2.5309   -2.6515       -0.7629   -0.7392
 5     -4.7103   -4.7103       -3.1371   -3.1506        2.6984    2.6515
 6      3.9583    3.8898        4.7108    4.7103      -20.2323  -20.1744
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.7795   -6.4224   -4.2787    0.0006    0.0006    0.0011
 Low frequencies ---   52.7945   70.0663   99.8989
 Diagonal vibrational polarizability:
       47.2791011      32.1767939      43.1856938
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.7868                70.0659                99.8988
 Red. masses --      8.9078                 9.1139                11.6971
 Frc consts  --      0.0146                 0.0264                 0.0688
 IR Inten    --      0.4862                 2.4131                 1.9607
 RamAct Fr= 1--      0.4406                 0.0692                 0.8008
  Dep-P Fr= 1--      0.7482                 0.3301                 0.7496
  Dep-U Fr= 1--      0.8560                 0.4964                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.0629                 0.0057                 0.1144
 AlphaG Fr= 1--     -0.0002                -0.0007                 0.0006
 Gamma2 Fr= 1--     -0.1722                 0.0273                 0.1515
 Delta2 Fr= 1--      0.0208                 0.0409                 0.0150
 Raman1 Fr= 1--       1.762                  0.277                  3.203
 ROA1   Fr= 1--     -15.870                  3.930                 15.026
 CID1   Fr= 1--      -9.006                 14.188                  4.691
 Raman2 Fr= 1--       0.754                  0.069                  1.372
 ROA2   Fr= 1--      -4.300                  0.328                  3.516
 CID2   Fr= 1--      -5.701                  4.777                  2.562
 Raman3 Fr= 1--       1.508                  0.137                  2.745
 ROA3   Fr= 1--     -15.870                  3.930                 15.026
 CID3   Fr= 1--     -10.521                 28.581                  5.474
 RC180  Fr= 1--       0.712                 -0.007                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.01   0.01  -0.07    -0.03   0.00  -0.11
     2   8     0.02  -0.04  -0.30    -0.02   0.00  -0.22    -0.02  -0.02  -0.41
     3   8    -0.05   0.03   0.45     0.03  -0.06  -0.12    -0.06   0.01   0.22
     4   6     0.02  -0.02  -0.09     0.06   0.08   0.11    -0.02   0.02  -0.05
     5   6     0.03   0.01  -0.07    -0.05   0.07  -0.11     0.03   0.00   0.05
     6   6    -0.01   0.00   0.06    -0.02  -0.01   0.05     0.05  -0.00   0.03
     7   8    -0.07  -0.00   0.37    -0.05  -0.08   0.10     0.14  -0.00  -0.38
     8   8     0.01   0.01  -0.16     0.06  -0.02   0.44    -0.01   0.02  -0.10
     9   8     0.03  -0.00  -0.14    -0.05   0.00  -0.42    -0.01   0.01   0.19
    10   8     0.03   0.01  -0.15     0.01  -0.00   0.22    -0.04  -0.02   0.51
    11   1     0.02  -0.09  -0.09     0.20   0.31   0.09    -0.10   0.02  -0.04
    12   1     0.06   0.08  -0.07    -0.18   0.27  -0.08     0.10  -0.06   0.04
    13   1     0.04   0.00  -0.32     0.02   0.03   0.06    -0.04  -0.05   0.30
    14   1    -0.08   0.03   0.54     0.06  -0.06   0.03    -0.08   0.01   0.34
    15   1    -0.02  -0.00  -0.11     0.22   0.07   0.23    -0.06   0.00   0.03
    16   1    -0.03   0.02   0.12    -0.08  -0.03  -0.26     0.08  -0.04  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    247.2102               249.5725               328.4968
 Red. masses --      8.0659                 6.4189                 5.5313
 Frc consts  --      0.2904                 0.2356                 0.3517
 IR Inten    --     30.6089                10.9704                17.5436
 RamAct Fr= 1--      0.0218                 1.3020                 0.2865
  Dep-P Fr= 1--      0.6898                 0.7180                 0.5694
  Dep-U Fr= 1--      0.8164                 0.8358                 0.7257
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0010
 Beta2  Fr= 1--      0.0030                 0.1814                 0.0347
 AlphaG Fr= 1--     -0.0005                 0.0045                -0.0039
 Gamma2 Fr= 1--      0.0080                -0.1957                -0.0702
 Delta2 Fr= 1--      0.0202                -0.0873                 0.0125
 Raman1 Fr= 1--       0.087                  5.208                  1.146
 ROA1   Fr= 1--       1.412                -21.586                 -6.333
 CID1   Fr= 1--      16.164                 -4.145                 -5.526
 Raman2 Fr= 1--       0.036                  2.177                  0.416
 ROA2   Fr= 1--       0.030                 -3.999                 -1.784
 CID2   Fr= 1--       0.842                 -1.837                 -4.290
 Raman3 Fr= 1--       0.071                  4.353                  0.832
 ROA3   Fr= 1--       1.412                -21.586                 -6.333
 CID3   Fr= 1--      19.798                 -4.959                 -7.614
 RC180  Fr= 1--       0.633                  0.672                  0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.00   0.01     0.00  -0.13   0.06     0.05   0.04   0.10
     2   8    -0.26   0.03   0.02     0.22  -0.21  -0.09    -0.04   0.06  -0.11
     3   8    -0.14  -0.22   0.01    -0.04   0.09  -0.06     0.12  -0.10  -0.04
     4   6    -0.04   0.13   0.03    -0.14  -0.16   0.19     0.04   0.02   0.26
     5   6    -0.02   0.17   0.07    -0.13   0.11   0.19     0.01  -0.01   0.24
     6   6     0.16  -0.03   0.03    -0.01   0.11   0.08     0.02  -0.04   0.10
     7   8     0.12  -0.18  -0.01    -0.02  -0.00  -0.07     0.09   0.11  -0.04
     8   8     0.18   0.04  -0.07    -0.09  -0.13  -0.04    -0.02   0.17  -0.12
     9   8    -0.20   0.07   0.03    -0.01   0.12  -0.07    -0.07  -0.14  -0.13
    10   8     0.33   0.04  -0.08     0.18   0.16  -0.05    -0.15  -0.08  -0.09
    11   1    -0.10   0.13   0.04    -0.23  -0.29   0.19    -0.12  -0.19   0.27
    12   1    -0.00   0.24   0.07    -0.23   0.27   0.20    -0.15   0.19   0.27
    13   1     0.37   0.13  -0.08     0.18   0.17  -0.01    -0.16  -0.14  -0.04
    14   1     0.05  -0.24  -0.02    -0.23   0.11  -0.01     0.24  -0.12  -0.03
    15   1     0.33   0.15  -0.13    -0.05  -0.12  -0.20    -0.08   0.09  -0.38
    16   1    -0.15  -0.12  -0.03     0.02   0.15  -0.21    -0.04  -0.31  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.2066               367.6159               393.3612
 Red. masses --      6.0937                 4.2151                 5.0978
 Frc consts  --      0.4328                 0.3356                 0.4647
 IR Inten    --      7.8430                 6.3529                24.0388
 RamAct Fr= 1--      3.8429                 1.8247                 1.0548
  Dep-P Fr= 1--      0.1381                 0.4630                 0.3663
  Dep-U Fr= 1--      0.2427                 0.6329                 0.5361
 Alpha2 Fr= 1--      0.0612                 0.0106                 0.0088
 Beta2  Fr= 1--      0.1554                 0.1925                 0.0943
 AlphaG Fr= 1--      0.0319                -0.0118                -0.0175
 Gamma2 Fr= 1--      0.1602                 0.1212                 0.2781
 Delta2 Fr= 1--      0.0837                 0.1089                 0.0603
 Raman1 Fr= 1--      15.372                  7.299                  4.219
 ROA1   Fr= 1--      18.058                 15.120                 28.631
 CID1   Fr= 1--       1.175                  2.072                  6.786
 Raman2 Fr= 1--       1.865                  2.310                  1.131
 ROA2   Fr= 1--       3.175                  2.038                  6.192
 CID2   Fr= 1--       1.702                  0.882                  5.475
 Raman3 Fr= 1--       3.730                  4.620                  2.262
 ROA3   Fr= 1--      18.058                 15.120                 28.631
 CID3   Fr= 1--       4.841                  3.273                 12.657
 RC180  Fr= 1--      -0.515                  0.266                  0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.00   0.02    -0.08   0.01  -0.04    -0.04   0.07   0.05
     2   8     0.15  -0.00  -0.02     0.00  -0.02   0.02    -0.09   0.08  -0.04
     3   8     0.17  -0.03   0.03    -0.16   0.24  -0.00    -0.04   0.07  -0.02
     4   6     0.07   0.03   0.01    -0.04  -0.01  -0.01    -0.01   0.02   0.14
     5   6    -0.11   0.07  -0.04     0.05   0.00   0.06    -0.04  -0.03   0.09
     6   6    -0.16   0.03  -0.05     0.06  -0.03   0.05    -0.10  -0.08  -0.03
     7   8    -0.21  -0.09  -0.02     0.12   0.10  -0.00    -0.14  -0.23  -0.04
     8   8     0.27  -0.05  -0.06     0.20  -0.14   0.03     0.11   0.02  -0.05
     9   8    -0.27   0.04   0.13    -0.05  -0.08  -0.05     0.31   0.12  -0.02
    10   8    -0.10   0.04   0.02    -0.09  -0.08  -0.04    -0.03  -0.09  -0.01
    11   1     0.12   0.02   0.00    -0.11   0.11   0.02    -0.09  -0.04   0.15
    12   1    -0.12  -0.01  -0.04     0.07   0.07   0.06    -0.20  -0.06   0.12
    13   1    -0.11   0.06   0.03    -0.11  -0.17   0.01    -0.02  -0.02  -0.03
    14   1     0.20  -0.04  -0.00    -0.40   0.27  -0.04    -0.07   0.08  -0.04
    15   1     0.57   0.13  -0.40     0.55   0.07  -0.34     0.29   0.10  -0.43
    16   1    -0.21  -0.09  -0.03    -0.06  -0.21   0.05     0.22   0.50   0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    447.1017               500.8361               517.3522
 Red. masses --      1.2702                 6.0153                 1.4087
 Frc consts  --      0.1496                 0.8890                 0.2221
 IR Inten    --    158.8246                13.2636                51.6253
 RamAct Fr= 1--      1.2030                 5.2629                 0.9397
  Dep-P Fr= 1--      0.7500                 0.5560                 0.2996
  Dep-U Fr= 1--      0.8571                 0.7146                 0.4610
 Alpha2 Fr= 1--      0.0000                 0.0194                 0.0097
 Beta2  Fr= 1--      0.1719                 0.6268                 0.0722
 AlphaG Fr= 1--      0.0000                 0.0320                 0.0324
 Gamma2 Fr= 1--      0.0183                -0.3392                 0.5180
 Delta2 Fr= 1--      0.4786                -0.5501                 0.1114
 Raman1 Fr= 1--       4.812                 21.052                  3.759
 ROA1   Fr= 1--      17.069                -50.163                 53.290
 CID1   Fr= 1--       3.547                 -2.383                 14.178
 Raman2 Fr= 1--       2.062                  7.522                  0.866
 ROA2   Fr= 1--      -3.390                 -3.739                 11.540
 CID2   Fr= 1--      -1.644                 -0.497                 13.319
 Raman3 Fr= 1--       4.125                 15.044                  1.733
 ROA3   Fr= 1--      17.069                -50.163                 53.290
 CID3   Fr= 1--       4.138                 -3.334                 30.753
 RC180  Fr= 1--       0.714                  0.429                 -0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.07   0.14  -0.11    -0.01   0.00   0.03
     2   8     0.01   0.00   0.00    -0.14   0.23  -0.00    -0.00  -0.01  -0.01
     3   8    -0.01   0.02  -0.02     0.10   0.02   0.05    -0.01   0.00  -0.01
     4   6    -0.00   0.01   0.03    -0.04  -0.10  -0.06    -0.00  -0.00   0.04
     5   6    -0.01   0.01   0.03    -0.01  -0.13   0.13    -0.01  -0.04  -0.01
     6   6    -0.01  -0.01   0.00    -0.11   0.06   0.12    -0.00   0.02  -0.07
     7   8    -0.01  -0.01  -0.01    -0.10   0.03  -0.06    -0.02   0.03  -0.02
     8   8     0.09  -0.01  -0.07     0.01  -0.22   0.01     0.02   0.01  -0.02
     9   8    -0.01   0.01  -0.03     0.04  -0.21  -0.03    -0.00  -0.08  -0.04
    10   8    -0.02  -0.02  -0.00     0.13   0.18  -0.01     0.05   0.06   0.04
    11   1    -0.05  -0.01   0.04    -0.23  -0.03  -0.02     0.00  -0.03   0.04
    12   1    -0.07   0.03   0.04     0.08  -0.04   0.11    -0.06  -0.15   0.01
    13   1    -0.02  -0.02  -0.01     0.17   0.38   0.02     0.06   0.09  -0.01
    14   1    -0.03   0.03   0.10     0.16   0.02  -0.00    -0.01   0.00   0.00
    15   1    -0.20  -0.10   0.95     0.10  -0.14   0.10     0.03   0.02  -0.01
    16   1    -0.01   0.02  -0.01     0.15  -0.27  -0.47    -0.24   0.03   0.93
                     13                     14                     15
                      A                      A                      A
 Frequencies --    559.5717               595.9212               661.8145
 Red. masses --      2.9476                 7.0575                 3.6673
 Frc consts  --      0.5438                 1.4767                 0.9464
 IR Inten    --     24.9640                 3.6175                32.4642
 RamAct Fr= 1--      1.2811                 1.2865                 0.7583
  Dep-P Fr= 1--      0.0968                 0.2538                 0.6075
  Dep-U Fr= 1--      0.1765                 0.4048                 0.7559
 Alpha2 Fr= 1--      0.0226                 0.0151                 0.0020
 Beta2  Fr= 1--      0.0377                 0.0868                 0.0955
 AlphaG Fr= 1--     -0.0341                -0.0083                 0.0035
 Gamma2 Fr= 1--     -0.2108                 0.1912                -0.4274
 Delta2 Fr= 1--      0.0955                 0.3351                -0.3825
 Raman1 Fr= 1--       5.124                  5.146                  3.033
 ROA1   Fr= 1--     -17.183                 29.075                -53.273
 CID1   Fr= 1--      -3.353                  5.650                -17.564
 Raman2 Fr= 1--       0.452                  1.042                  1.146
 ROA2   Fr= 1--      -5.824                  1.907                 -7.198
 CID2   Fr= 1--     -12.880                  1.831                 -6.279
 Raman3 Fr= 1--       0.904                  2.083                  2.293
 ROA3   Fr= 1--     -17.183                 29.075                -53.273
 CID3   Fr= 1--     -19.002                 13.957                -23.237
 RC180  Fr= 1--      -0.647                 -0.190                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.15    -0.06  -0.11  -0.21    -0.05   0.08  -0.12
     2   8     0.07   0.04   0.05     0.13  -0.18   0.09     0.15   0.03   0.04
     3   8     0.06  -0.07   0.07    -0.15  -0.03   0.05    -0.04  -0.10   0.06
     4   6    -0.09   0.03  -0.11     0.06   0.15  -0.08    -0.15   0.09   0.05
     5   6    -0.01   0.08   0.11     0.11  -0.05   0.13    -0.15  -0.08   0.01
     6   6     0.00  -0.02   0.14    -0.13   0.05   0.14    -0.01  -0.07  -0.16
     7   8     0.05  -0.05  -0.07    -0.14  -0.08  -0.08     0.01   0.16   0.07
     8   8    -0.05  -0.07   0.03     0.08   0.29   0.04     0.04  -0.00  -0.02
     9   8    -0.00   0.10  -0.06     0.09  -0.20  -0.03     0.04  -0.01  -0.01
    10   8    -0.06  -0.07  -0.05    -0.01   0.13  -0.04     0.08  -0.09   0.06
    11   1    -0.27   0.18  -0.07    -0.11   0.46  -0.01    -0.37   0.23   0.10
    12   1     0.14   0.25   0.08     0.26   0.02   0.11    -0.42  -0.23   0.06
    13   1    -0.09  -0.12   0.07    -0.02   0.13   0.15     0.12   0.02  -0.08
    14   1     0.20  -0.10  -0.06    -0.12  -0.04  -0.19     0.25  -0.15  -0.30
    15   1     0.04  -0.00   0.07    -0.03   0.21   0.00     0.15   0.09   0.01
    16   1    -0.19   0.20   0.70     0.14  -0.23  -0.20     0.10   0.12  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    718.3197               755.9042               760.8162
 Red. masses --      1.1295                 5.8363                 7.7754
 Frc consts  --      0.3434                 1.9648                 2.6517
 IR Inten    --     62.2162                 3.6560                11.2721
 RamAct Fr= 1--      0.6591                 0.5189                 7.3446
  Dep-P Fr= 1--      0.7045                 0.1040                 0.0770
  Dep-U Fr= 1--      0.8266                 0.1884                 0.1431
 Alpha2 Fr= 1--      0.0005                 0.0090                 0.1360
 Beta2  Fr= 1--      0.0908                 0.0163                 0.1751
 AlphaG Fr= 1--      0.0121                -0.0205                 0.0106
 Gamma2 Fr= 1--     -0.0027                -0.0445                 0.3066
 Delta2 Fr= 1--      0.1247                -0.0132                -0.1307
 Raman1 Fr= 1--       2.636                  2.076                 29.378
 ROA1   Fr= 1--       3.736                 -4.692                 25.256
 CID1   Fr= 1--       1.417                 -2.260                  0.860
 Raman2 Fr= 1--       1.090                  0.195                  2.102
 ROA2   Fr= 1--      -1.061                 -0.962                  8.405
 CID2   Fr= 1--      -0.974                 -4.922                  3.999
 Raman3 Fr= 1--       2.179                  0.391                  4.203
 ROA3   Fr= 1--       3.736                 -4.692                 25.256
 CID3   Fr= 1--       1.714                -12.000                  6.009
 RC180  Fr= 1--       0.653                 -0.623                 -0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.02    -0.10   0.11   0.29    -0.19   0.23   0.23
     2   8     0.02   0.00   0.03     0.11   0.02  -0.08     0.26   0.11  -0.06
     3   8     0.00  -0.03  -0.06    -0.09  -0.06  -0.05    -0.15  -0.15  -0.06
     4   6    -0.02   0.02  -0.02     0.01   0.02  -0.11    -0.11   0.07  -0.03
     5   6    -0.01  -0.01   0.00    -0.03  -0.04  -0.12     0.13   0.04  -0.01
     6   6    -0.02  -0.01   0.01    -0.20  -0.13   0.31     0.16   0.17  -0.08
     7   8    -0.00   0.02  -0.00    -0.05   0.16  -0.10     0.04  -0.21   0.04
     8   8     0.00   0.01  -0.01     0.04   0.00   0.02    -0.04  -0.13  -0.01
     9   8     0.01  -0.01  -0.00     0.02   0.01   0.02     0.05  -0.12   0.01
    10   8     0.02  -0.01   0.00     0.13  -0.12  -0.05    -0.19   0.17  -0.01
    11   1    -0.02   0.04  -0.01     0.40  -0.15  -0.19    -0.05  -0.11  -0.05
    12   1    -0.01  -0.01   0.00     0.36   0.12  -0.19     0.19  -0.07  -0.01
    13   1     0.02   0.01  -0.02     0.19   0.16   0.03    -0.26  -0.20   0.05
    14   1    -0.11   0.01   0.98     0.17  -0.10  -0.24     0.39  -0.22   0.11
    15   1     0.07   0.05  -0.09     0.08   0.04   0.05     0.16   0.02   0.05
    16   1     0.01   0.02  -0.02    -0.02   0.12   0.12     0.10  -0.21  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    893.6971               908.5299               928.3448
 Red. masses --      1.2828                 3.2748                 3.6757
 Frc consts  --      0.6037                 1.5926                 1.8664
 IR Inten    --     80.1307                16.8164                 6.4515
 RamAct Fr= 1--      0.7743                 0.7248                 2.8225
  Dep-P Fr= 1--      0.5083                 0.1048                 0.0500
  Dep-U Fr= 1--      0.6740                 0.1897                 0.0952
 Alpha2 Fr= 1--      0.0037                 0.0125                 0.0558
 Beta2  Fr= 1--      0.0870                 0.0229                 0.0448
 AlphaG Fr= 1--     -0.0203                -0.0026                 0.0596
 Gamma2 Fr= 1--      0.5826                 0.3533                -0.0600
 Delta2 Fr= 1--      0.3286                 0.2158                -0.0303
 Raman1 Fr= 1--       3.097                  2.899                 11.290
 ROA1   Fr= 1--      66.445                 40.821                 -6.732
 CID1   Fr= 1--      21.452                 14.079                 -0.596
 Raman2 Fr= 1--       1.044                  0.275                  0.537
 ROA2   Fr= 1--      11.354                  6.752                 -1.198
 CID2   Fr= 1--      10.877                 24.552                 -2.229
 Raman3 Fr= 1--       2.088                  0.550                  1.075
 ROA3   Fr= 1--      66.445                 40.821                 -6.732
 CID3   Fr= 1--      31.826                 74.215                 -6.265
 RC180  Fr= 1--       0.348                 -0.621                 -0.810
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.03   0.07  -0.15    -0.00   0.04  -0.16
     2   8    -0.01  -0.00  -0.02     0.06   0.09   0.01     0.05   0.07   0.04
     3   8     0.02   0.00   0.01    -0.15  -0.03   0.01    -0.10  -0.02   0.01
     4   6    -0.03   0.00   0.01     0.19  -0.10   0.11     0.11  -0.12   0.13
     5   6    -0.07  -0.05  -0.06     0.15   0.06   0.05    -0.15  -0.13  -0.15
     6   6     0.03   0.01   0.04    -0.05  -0.04  -0.10     0.04   0.04   0.20
     7   8     0.04  -0.01   0.01    -0.08   0.04   0.01     0.10  -0.05  -0.03
     8   8     0.02   0.02  -0.01    -0.02  -0.04  -0.00     0.05   0.03  -0.01
     9   8     0.01  -0.01   0.01    -0.05   0.06  -0.00    -0.02   0.02   0.02
    10   8    -0.00   0.03  -0.05     0.04  -0.07  -0.01    -0.06   0.08  -0.01
    11   1    -0.00   0.02   0.01     0.20  -0.25   0.09     0.27  -0.15   0.10
    12   1    -0.12  -0.09  -0.05     0.11   0.18   0.06    -0.30  -0.19  -0.12
    13   1    -0.09  -0.03   0.96     0.02   0.06   0.62    -0.04  -0.06  -0.60
    14   1    -0.01   0.01   0.02     0.09  -0.06   0.09     0.08  -0.05   0.04
    15   1     0.04   0.04   0.02    -0.31  -0.27  -0.13    -0.21  -0.17  -0.11
    16   1    -0.01   0.12  -0.01    -0.03  -0.21   0.09    -0.07   0.26   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1062.5189              1093.0372              1093.4830
 Red. masses --      6.6168                 6.8472                 4.6663
 Frc consts  --      4.4012                 4.8198                 3.2874
 IR Inten    --     30.5415                64.8208               107.4381
 RamAct Fr= 1--      2.7361                 1.9308                 3.3628
  Dep-P Fr= 1--      0.2808                 0.7004                 0.7135
  Dep-U Fr= 1--      0.4384                 0.8238                 0.8328
 Alpha2 Fr= 1--      0.0297                 0.0017                 0.0021
 Beta2  Fr= 1--      0.1999                 0.2651                 0.4668
 AlphaG Fr= 1--     -0.0312                -0.0019                -0.0261
 Gamma2 Fr= 1--     -0.2471                -0.0221                 0.2349
 Delta2 Fr= 1--     -0.0166                -0.5109                 1.0082
 Raman1 Fr= 1--      10.945                  7.723                 13.451
 ROA1   Fr= 1--     -24.251                -18.467                 54.816
 CID1   Fr= 1--      -2.216                 -2.391                  4.075
 Raman2 Fr= 1--       2.399                  3.181                  5.601
 ROA2   Fr= 1--      -5.797                  3.558                 -2.427
 CID2   Fr= 1--      -2.416                  1.118                 -0.433
 Raman3 Fr= 1--       4.798                  6.362                 11.202
 ROA3   Fr= 1--     -24.251                -18.467                 54.816
 CID3   Fr= 1--      -5.054                 -2.902                  4.893
 RC180  Fr= 1--      -0.123                  0.648                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.10    -0.01   0.01  -0.10    -0.02  -0.01   0.02
     2   8    -0.02  -0.06   0.03    -0.00   0.04   0.01    -0.00  -0.04   0.00
     3   8     0.06   0.02   0.03     0.03  -0.00   0.02    -0.03   0.02  -0.01
     4   6    -0.02   0.33   0.35    -0.16  -0.21   0.06     0.32   0.24  -0.10
     5   6     0.19   0.08  -0.29    -0.15   0.47  -0.15    -0.24   0.12   0.13
     6   6    -0.06  -0.03   0.14     0.01   0.03  -0.02     0.03   0.03  -0.01
     7   8    -0.03   0.00  -0.04    -0.02   0.01  -0.00     0.02   0.01   0.01
     8   8    -0.15  -0.19  -0.12     0.04   0.09   0.04    -0.08  -0.14  -0.04
     9   8     0.03  -0.04   0.04     0.13  -0.28   0.10     0.04  -0.13   0.02
    10   8     0.01  -0.01  -0.02     0.01  -0.09  -0.00     0.00  -0.03   0.00
    11   1    -0.16   0.29   0.35     0.20  -0.36  -0.02     0.45   0.14  -0.15
    12   1     0.08  -0.00  -0.25     0.17   0.50  -0.19    -0.41   0.06   0.18
    13   1     0.03   0.07  -0.06     0.01  -0.08  -0.03    -0.01  -0.04   0.03
    14   1    -0.03   0.03  -0.01     0.05  -0.01  -0.01     0.02   0.01   0.00
    15   1     0.29   0.16   0.12    -0.01   0.04   0.05    -0.15  -0.20  -0.08
    16   1     0.06  -0.27   0.06     0.07   0.10   0.06    -0.03   0.40  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1209.3791              1242.2233              1258.9457
 Red. masses --      1.4098                 1.4549                 1.3303
 Frc consts  --      1.2149                 1.3228                 1.2423
 IR Inten    --     87.2214                 7.4658                 8.2811
 RamAct Fr= 1--      7.8792                 3.0252                 4.2398
  Dep-P Fr= 1--      0.5027                 0.2704                 0.2660
  Dep-U Fr= 1--      0.6691                 0.4257                 0.4203
 Alpha2 Fr= 1--      0.0384                 0.0338                 0.0480
 Beta2  Fr= 1--      0.8786                 0.2146                 0.2970
 AlphaG Fr= 1--      0.0643                -0.0042                -0.0556
 Gamma2 Fr= 1--      0.0252                -0.9491                 1.3457
 Delta2 Fr= 1--      0.4504                -0.6696                 1.1424
 Raman1 Fr= 1--      31.517                 12.101                 16.959
 ROA1   Fr= 1--      16.832               -112.542                165.744
 CID1   Fr= 1--       0.534                 -9.300                  9.773
 Raman2 Fr= 1--      10.543                  2.576                  3.564
 ROA2   Fr= 1--      -2.998                -17.422                 23.157
 CID2   Fr= 1--      -0.284                 -6.764                  6.498
 Raman3 Fr= 1--      21.086                  5.151                  7.127
 ROA3   Fr= 1--      16.832               -112.542                165.744
 CID3   Fr= 1--       0.798                -21.848                 23.254
 RC180  Fr= 1--       0.338                 -0.149                 -0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.03  -0.02    -0.08   0.02  -0.06     0.10  -0.02   0.05
     2   8     0.02   0.05   0.00    -0.01  -0.04   0.01     0.01   0.04  -0.01
     3   8    -0.07  -0.05   0.00     0.05   0.03   0.01    -0.04  -0.04  -0.01
     4   6     0.01   0.01  -0.00    -0.04   0.04   0.05     0.00  -0.01   0.02
     5   6    -0.01  -0.00   0.03    -0.04  -0.08   0.05    -0.01  -0.04  -0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.04  -0.06    -0.01  -0.03  -0.04
     7   8     0.00  -0.00   0.00     0.02   0.00   0.01     0.02  -0.00   0.01
     8   8    -0.06   0.01  -0.01    -0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   8     0.00   0.01  -0.00    -0.01   0.00  -0.01    -0.01  -0.03   0.02
    10   8    -0.01  -0.00   0.00    -0.01   0.03   0.01    -0.01   0.02   0.00
    11   1     0.22  -0.38  -0.07     0.50  -0.26  -0.07    -0.20   0.46   0.10
    12   1    -0.02  -0.05   0.03     0.61   0.29  -0.07     0.28   0.55  -0.08
    13   1     0.00   0.05   0.00    -0.01   0.01  -0.01    -0.00   0.10   0.01
    14   1    -0.48   0.01  -0.10     0.23   0.00   0.02    -0.35   0.01  -0.04
    15   1     0.50   0.45   0.25     0.13   0.10   0.06    -0.15  -0.13  -0.07
    16   1     0.01  -0.03  -0.01    -0.04   0.30  -0.06    -0.05   0.37  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.5522              1306.9930              1363.2381
 Red. masses --      2.8441                 1.1794                 1.2036
 Frc consts  --      2.8257                 1.1870                 1.3179
 IR Inten    --    119.4982                56.8636                14.5788
 RamAct Fr= 1--      5.5407                 3.8765                 5.3986
  Dep-P Fr= 1--      0.4009                 0.3022                 0.7499
  Dep-U Fr= 1--      0.5723                 0.4642                 0.8571
 Alpha2 Fr= 1--      0.0409                 0.0395                 0.0000
 Beta2  Fr= 1--      0.5285                 0.2999                 0.7712
 AlphaG Fr= 1--     -0.0037                 0.0354                -0.0003
 Gamma2 Fr= 1--      0.6217                -2.1198                 0.0856
 Delta2 Fr= 1--     -0.3148                 0.2087                -1.9548
 Raman1 Fr= 1--      22.163                 15.506                 21.594
 ROA1   Fr= 1--      49.612               -196.819                -54.336
 CID1   Fr= 1--       2.239                -12.693                 -2.516
 Raman2 Fr= 1--       6.342                  3.599                  9.254
 ROA2   Fr= 1--      17.440                -52.544                 17.693
 CID2   Fr= 1--       2.750                -14.600                  1.912
 Raman3 Fr= 1--      12.685                  7.198                 18.509
 ROA3   Fr= 1--      49.612               -196.819                -54.336
 CID3   Fr= 1--       3.911                -27.345                 -2.936
 RC180  Fr= 1--       0.145                 -0.072                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.02  -0.01   0.00    -0.04   0.00  -0.01
     2   8    -0.01   0.03  -0.00     0.01   0.02  -0.00     0.00   0.01   0.00
     3   8    -0.00  -0.00   0.00     0.00  -0.02   0.00     0.02  -0.00   0.00
     4   6     0.01  -0.01   0.03    -0.06  -0.01   0.03    -0.05  -0.03  -0.01
     5   6     0.02  -0.06   0.01    -0.04   0.05   0.04     0.04  -0.06  -0.00
     6   6     0.07   0.30   0.03     0.00  -0.01   0.00     0.02   0.05   0.01
     7   8    -0.10   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.00  -0.01
     8   8    -0.00   0.00  -0.01     0.01  -0.01  -0.03    -0.01   0.00  -0.02
     9   8    -0.05  -0.03  -0.02     0.01   0.02  -0.02     0.01   0.01   0.02
    10   8     0.07  -0.16   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
    11   1    -0.12   0.08   0.07     0.52   0.47  -0.03     0.48   0.31  -0.08
    12   1     0.36  -0.28  -0.06     0.28  -0.49  -0.01    -0.49   0.54   0.09
    13   1    -0.02  -0.54  -0.00     0.00   0.00   0.02    -0.02  -0.22  -0.01
    14   1    -0.06   0.00  -0.01    -0.25   0.01  -0.04    -0.05   0.01  -0.02
    15   1     0.05   0.04   0.02    -0.17  -0.15  -0.06     0.08   0.07   0.03
    16   1    -0.09   0.53  -0.13     0.03  -0.24   0.01     0.04  -0.21   0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1378.7156              1409.1806              1435.4982
 Red. masses --      1.4234                 1.5321                 2.1873
 Frc consts  --      1.5941                 1.7925                 2.6556
 IR Inten    --    393.5274               119.0174               133.4021
 RamAct Fr= 1--      5.0089                 1.9506                 1.5739
  Dep-P Fr= 1--      0.3144                 0.5278                 0.3586
  Dep-U Fr= 1--      0.4784                 0.6909                 0.5279
 Alpha2 Fr= 1--      0.0492                 0.0084                 0.0134
 Beta2  Fr= 1--      0.3994                 0.2246                 0.1385
 AlphaG Fr= 1--      0.0308                 0.0339                -0.0080
 Gamma2 Fr= 1--     -1.2783                 1.2808                 0.5600
 Delta2 Fr= 1--      0.0718                 0.5310                 0.6909
 Raman1 Fr= 1--      20.036                  7.802                  6.295
 ROA1   Fr= 1--    -120.415                139.950                 75.873
 CID1   Fr= 1--      -6.010                 17.937                 12.052
 Raman2 Fr= 1--       4.793                  2.695                  1.662
 ROA2   Fr= 1--     -31.253                 26.491                  7.914
 CID2   Fr= 1--      -6.521                  9.828                  4.762
 Raman3 Fr= 1--       9.586                  5.391                  3.324
 ROA3   Fr= 1--    -120.415                139.950                 75.873
 CID3   Fr= 1--     -12.562                 25.961                 22.829
 RC180  Fr= 1--      -0.043                  0.382                  0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.01   0.02     0.08  -0.02  -0.00     0.19  -0.04   0.01
     2   8    -0.03  -0.03  -0.00    -0.01  -0.01   0.00    -0.03  -0.01   0.00
     3   8    -0.08   0.04  -0.01    -0.04   0.01  -0.00    -0.09   0.01  -0.01
     4   6     0.04  -0.08   0.01    -0.10   0.02  -0.00    -0.11   0.15  -0.00
     5   6    -0.05   0.01   0.00     0.14   0.03   0.02    -0.07  -0.05  -0.01
     6   6     0.01   0.01  -0.01    -0.03   0.01   0.01     0.04   0.06   0.00
     7   8     0.00  -0.00   0.00     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.04   0.00  -0.03     0.01  -0.01   0.00     0.06  -0.01   0.02
     9   8     0.01   0.01   0.00    -0.04  -0.04  -0.01     0.03   0.02   0.01
    10   8    -0.00  -0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.03   0.00
    11   1    -0.03   0.45   0.07     0.34  -0.00  -0.09     0.08  -0.46  -0.09
    12   1     0.15   0.01  -0.03    -0.36  -0.18   0.11     0.10   0.25  -0.05
    13   1     0.01   0.08   0.01     0.04   0.44   0.01     0.00  -0.14   0.01
    14   1     0.71  -0.06   0.10     0.27  -0.03   0.03     0.28  -0.04   0.05
    15   1     0.32   0.28   0.13    -0.08  -0.07  -0.05    -0.37  -0.35  -0.16
    16   1     0.03  -0.16   0.02    -0.09   0.60  -0.11     0.08  -0.45   0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1476.1282              1783.6291              1817.0414
 Red. masses --      1.4953                 8.8286                 8.3662
 Frc consts  --      1.9197                16.5482                16.2746
 IR Inten    --    181.8951               376.9580               266.8064
 RamAct Fr= 1--      1.2717                29.8940                 9.9565
  Dep-P Fr= 1--      0.1848                 0.1007                 0.6619
  Dep-U Fr= 1--      0.3120                 0.1830                 0.7965
 Alpha2 Fr= 1--      0.0180                 0.5225                 0.0156
 Beta2  Fr= 1--      0.0661                 0.9116                 1.3218
 AlphaG Fr= 1--     -0.0004                -0.0131                 0.0582
 Gamma2 Fr= 1--     -0.4704                -0.5284                 1.0533
 Delta2 Fr= 1--     -0.0451                -0.2420                 0.3143
 Raman1 Fr= 1--       5.087                119.576                 39.826
 ROA1   Fr= 1--     -46.604                -58.466                111.172
 CID1   Fr= 1--      -9.162                 -0.489                  2.791
 Raman2 Fr= 1--       0.793                 10.939                 15.862
 ROA2   Fr= 1--     -10.929                -10.744                 22.764
 CID2   Fr= 1--     -13.773                 -0.982                  1.435
 Raman3 Fr= 1--       1.587                 21.878                 31.723
 ROA3   Fr= 1--     -46.604                -58.466                111.172
 CID3   Fr= 1--     -29.366                 -2.672                  3.504
 RC180  Fr= 1--      -0.376                 -0.634                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.00     0.15   0.50  -0.03    -0.14  -0.42   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.30   0.02     0.08   0.24  -0.02
     3   8     0.03  -0.00   0.00     0.00  -0.05   0.00     0.01   0.04  -0.00
     4   6     0.02  -0.00   0.00    -0.00  -0.05   0.00    -0.01   0.02  -0.01
     5   6    -0.05  -0.04  -0.01    -0.00   0.00  -0.01    -0.02  -0.00   0.00
     6   6     0.02   0.13  -0.01     0.42  -0.13   0.09     0.45  -0.21   0.09
     7   8     0.03  -0.03   0.01    -0.26   0.07  -0.06    -0.28   0.08  -0.06
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
     9   8     0.01   0.01   0.00    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.00    -0.06   0.01  -0.01    -0.05   0.03  -0.00
    11   1    -0.04  -0.01   0.01     0.02   0.05   0.01     0.02  -0.02  -0.01
    12   1     0.08   0.14  -0.03    -0.04  -0.04   0.00     0.00  -0.04   0.02
    13   1     0.11   0.91   0.01     0.17   0.32   0.05    -0.01   0.51  -0.03
    14   1    -0.13   0.01  -0.02    -0.39   0.05  -0.05     0.31  -0.03   0.04
    15   1    -0.01  -0.00   0.00    -0.02  -0.02  -0.01     0.03   0.04   0.01
    16   1     0.04  -0.26   0.05    -0.07   0.22  -0.03    -0.04   0.15  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2997.8213              3014.5678              3175.9377
 Red. masses --      1.0807                 1.0839                 1.0747
 Frc consts  --      5.7223                 5.8035                 6.3868
 IR Inten    --     10.9764                16.6138              1049.7139
 RamAct Fr= 1--    180.9303                 7.4855               102.8355
  Dep-P Fr= 1--      0.1731                 0.2049                 0.2294
  Dep-U Fr= 1--      0.2952                 0.3400                 0.3733
 Alpha2 Fr= 1--      2.6361                 0.1004                 1.2901
 Beta2  Fr= 1--      8.9009                 0.4242                 6.3973
 AlphaG Fr= 1--      0.3542                 0.0398                -0.1380
 Gamma2 Fr= 1--      3.5013                -1.9189                -2.4563
 Delta2 Fr= 1--      4.3229                -4.3008                 0.8614
 Raman1 Fr= 1--     723.721                 29.942                411.342
 ROA1   Fr= 1--     474.455               -321.835               -208.243
 CID1   Fr= 1--       0.656                -10.749                 -0.506
 Raman2 Fr= 1--     106.811                  5.091                 76.768
 ROA2   Fr= 1--      49.447                -11.646                -65.843
 CID2   Fr= 1--       0.463                 -2.288                 -0.858
 Raman3 Fr= 1--     213.623                 10.182                153.536
 ROA3   Fr= 1--     474.455               -321.835               -208.243
 CID3   Fr= 1--       2.221                -31.609                 -1.356
 RC180  Fr= 1--      -0.410                 -0.320                 -0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.01  -0.01   0.04    -0.01   0.01  -0.07     0.00   0.00  -0.00
     5   6    -0.01  -0.00  -0.07    -0.01  -0.00  -0.04     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.06   0.01  -0.00
    11   1    -0.10   0.04  -0.53     0.15  -0.07   0.82    -0.00   0.00   0.00
    12   1     0.15   0.01   0.82     0.09   0.01   0.53    -0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.98  -0.16   0.07
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.01  -0.00
    16   1    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00    -0.02   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3596.8318              3608.6584              3753.5768
 Red. masses --      1.0646                 1.0645                 1.0657
 Frc consts  --      8.1146                 8.1676                 8.8468
 IR Inten    --    180.5898               183.5280                88.7759
 RamAct Fr= 1--     54.9822                46.6235                58.1281
  Dep-P Fr= 1--      0.0669                 0.1072                 0.1441
  Dep-U Fr= 1--      0.1255                 0.1937                 0.2519
 Alpha2 Fr= 1--      1.0429                 0.8020                 0.9121
 Beta2  Fr= 1--      1.1500                 1.5049                 2.4407
 AlphaG Fr= 1--     -0.1306                -0.0229                -0.1579
 Gamma2 Fr= 1--     -1.1132                 1.7795                -0.3916
 Delta2 Fr= 1--     -0.2167                 0.2799                -0.6869
 Raman1 Fr= 1--     219.929                186.494                232.512
 ROA1   Fr= 1--    -113.802                179.785                -59.580
 CID1   Fr= 1--      -0.517                  0.964                 -0.256
 Raman2 Fr= 1--      13.800                 18.059                 29.289
 ROA2   Fr= 1--     -24.983                 40.468                 -3.904
 CID2   Fr= 1--      -1.810                  2.241                 -0.133
 Raman3 Fr= 1--      27.600                 36.119                 58.577
 ROA3   Fr= 1--    -113.802                179.785                -59.580
 CID3   Fr= 1--      -4.123                  4.978                 -1.017
 RC180  Fr= 1--      -0.749                 -0.613                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.00  -0.00    -0.01  -0.06   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.05   0.01
     9   8    -0.06  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.02   0.00   0.00    -0.02   0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01  -0.05   0.00     0.13   0.99  -0.02    -0.00  -0.05   0.00
    15   1     0.01  -0.02   0.00    -0.03   0.03  -0.00    -0.59   0.80  -0.10
    16   1     0.96   0.13   0.22     0.05   0.01   0.01     0.02   0.00   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   860.390701690.060542490.25697
           X            0.99999   0.00482  -0.00227
           Y           -0.00483   0.99998  -0.00298
           Z            0.00226   0.00299   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10067     0.05125     0.03478
 Rotational constants (GHZ):           2.09758     1.06786     0.72472
 Zero-point vibrational energy     303734.1 (Joules/Mol)
                                   72.59420 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     75.95   100.81   143.73   355.68   359.08
          (Kelvin)            472.63   499.55   528.92   565.96   643.28
                              720.59   744.35   805.10   857.40   952.20
                             1033.50  1087.58  1094.64  1285.83  1307.17
                             1335.68  1528.73  1572.64  1573.28  1740.03
                             1787.28  1811.34  1868.33  1880.47  1961.40
                             1983.66  2027.50  2065.36  2123.82  2566.24
                             2614.32  4313.20  4337.29  4569.47  5175.04
                             5192.05  5400.56
 
 Zero-point correction=                           0.115686 (Hartree/Particle)
 Thermal correction to Energy=                    0.125067
 Thermal correction to Enthalpy=                  0.126011
 Thermal correction to Gibbs Free Energy=         0.080413
 Sum of electronic and zero-point Energies=           -607.574404
 Sum of electronic and thermal Energies=              -607.565024
 Sum of electronic and thermal Enthalpies=            -607.564080
 Sum of electronic and thermal Free Energies=         -607.609677
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.480             34.486             95.968
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.672
 Vibrational             76.703             28.524             25.369
 Vibration     1          0.596              1.976              4.710
 Vibration     2          0.598              1.968              4.152
 Vibration     3          0.604              1.949              3.456
 Vibration     4          0.661              1.767              1.750
 Vibration     5          0.662              1.763              1.734
 Vibration     6          0.712              1.619              1.267
 Vibration     7          0.725              1.581              1.179
 Vibration     8          0.740              1.539              1.090
 Vibration     9          0.761              1.484              0.987
 Vibration    10          0.806              1.367              0.805
 Vibration    11          0.856              1.248              0.656
 Vibration    12          0.872              1.212              0.616
 Vibration    13          0.915              1.119              0.525
 Vibration    14          0.954              1.040              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.102917D-36        -36.987512        -85.166893
 Total V=0       0.167652D+17         16.224409         37.358082
 Vib (Bot)       0.209199D-50        -50.679440       -116.693724
 Vib (Bot)    1  0.391510D+01          0.592742          1.364840
 Vib (Bot)    2  0.294352D+01          0.468868          1.079608
 Vib (Bot)    3  0.205439D+01          0.312684          0.719981
 Vib (Bot)    4  0.790535D+00         -0.102079         -0.235046
 Vib (Bot)    5  0.782181D+00         -0.106693         -0.245669
 Vib (Bot)    6  0.569316D+00         -0.244647         -0.563320
 Vib (Bot)    7  0.532343D+00         -0.273809         -0.630468
 Vib (Bot)    8  0.496046D+00         -0.304478         -0.701086
 Vib (Bot)    9  0.455301D+00         -0.341701         -0.786796
 Vib (Bot)   10  0.384453D+00         -0.415156         -0.955933
 Vib (Bot)   11  0.327913D+00         -0.484241         -1.115006
 Vib (Bot)   12  0.312756D+00         -0.504794         -1.162331
 Vib (Bot)   13  0.277868D+00         -0.556162         -1.280610
 Vib (Bot)   14  0.251620D+00         -0.599255         -1.379836
 Vib (V=0)       0.340785D+03          2.532480          5.831251
 Vib (V=0)    1  0.444689D+01          0.648057          1.492206
 Vib (V=0)    2  0.348569D+01          0.542289          1.248666
 Vib (V=0)    3  0.261436D+01          0.417366          0.961021
 Vib (V=0)    4  0.143539D+01          0.156968          0.361433
 Vib (V=0)    5  0.142834D+01          0.154830          0.356510
 Vib (V=0)    6  0.125771D+01          0.099580          0.229291
 Vib (V=0)    7  0.123033D+01          0.090023          0.207286
 Vib (V=0)    8  0.120432D+01          0.080741          0.185912
 Vib (V=0)    9  0.117624D+01          0.070496          0.162322
 Vib (V=0)   10  0.113072D+01          0.053354          0.122852
 Vib (V=0)   11  0.109794D+01          0.040577          0.093432
 Vib (V=0)   12  0.108976D+01          0.037331          0.085957
 Vib (V=0)   13  0.107202D+01          0.030204          0.069548
 Vib (V=0)   14  0.105974D+01          0.025201          0.058027
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.681187D+06          5.833267         13.431593
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    33             3    32                                       11         111111111 1  111                                   
     7    65             1    09                                       87         444333222 2  000  998   777 6 5 55543333 22    1   
     5    09             7    19                                       18         730760954 0  996  209   651 6 9 61049642 54    075 
     4    97             6    58                                       74         659937992 9  333  894   168 2 6 07173878 07    003 
 
     X    XX             X    XX                                       XX         XXXXXXXXX X  XXX  XXX   XXX X X XXXXXXXX XX    XXX 
     X    XX             X                                             XX         XXXX  X   X  X      X              X               
          XX             X                                             XX         XX X                               X               
                         X                                             XX            X                                               
                         X                                             XX            X                                               
                         X                                              X            X                                               
                         X                                              X            X                                               
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000007738   -0.000008173   -0.000001522
      2        8           0.000001648   -0.000001295    0.000001220
      3        8           0.000001751    0.000002442    0.000001220
      4        6           0.000477780    0.008318076    0.000708473
      5        6          -0.000037645    0.008343015   -0.000231519
      6        6           0.000000992   -0.000001732   -0.000001707
      7        8           0.000004496   -0.000004917    0.000001812
      8        8           0.000005405    0.000002382   -0.000001042
      9        8          -0.000004796    0.000001437    0.000004323
     10        8          -0.000001287    0.000004163    0.000000540
     11        1          -0.000391200   -0.008323578   -0.000567945
     12        1          -0.000045168   -0.008343739    0.000085983
     13        1           0.000000009    0.000007618   -0.000003661
     14        1          -0.000001640   -0.000000241    0.000004678
     15        1          -0.000000508    0.000001804   -0.000000544
     16        1          -0.000002098    0.000002738   -0.000000309
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008343739 RMS     0.002410770
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.903328D+02  0.665076D+00  0.260846D+01
      2   0.665076D+00  0.803833D+02 -0.996646D+00
      3   0.260846D+01 -0.996646D+00  0.539226D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.268002D+01 -0.100999D+01 -0.708014D+01
      2  -0.298700D+01 -0.139194D+01 -0.397752D+01
      3  -0.116537D+02 -0.744667D+00 -0.480569D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.106197D+02  0.138290D+02 -0.863908D+01
      2   0.422472D+01 -0.668683D+01  0.557120D+01
      3   0.639501D+01 -0.714222D+01  0.306787D+01
      4   0.175134D+02 -0.387871D+01  0.489266D-01
      5  -0.832853D+01  0.450820D+00 -0.435988D+01
      6  -0.722580D+00  0.117146D+01  0.167166D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.261943D+01 -0.897341D+00 -0.202191D+00  0.247527D+01  0.208457D+01
      2  -0.897341D+00  0.280768D+01  0.923271D-01  0.208457D+01  0.548127D+01
      3  -0.202191D+00  0.923271D-01  0.650436D+00 -0.136835D+00 -0.436033D+00
                 6             7             8             9            10 
      1  -0.136835D+00 -0.103487D+01  0.746225D+00  0.448199D+00 -0.285872D+01
      2  -0.436033D+00  0.746225D+00 -0.580209D+00  0.164603D+00 -0.212762D+01
      3   0.293364D-01  0.448199D+00  0.164603D+00 -0.527531D+00  0.203950D+00
                11            12            13            14            15 
      1  -0.212762D+01  0.203950D+00 -0.576785D+01 -0.455007D+00  0.130057D+00
      2  -0.129994D+01  0.150979D+00 -0.455007D+00 -0.118394D+02  0.437283D+00
      3   0.150979D+00 -0.614258D+00  0.130057D+00  0.437283D+00 -0.180341D+01
                16            17            18            19            20 
      1   0.281527D+00  0.582868D-01 -0.413027D+00  0.994945D+01 -0.449373D+00
      2   0.582868D-01  0.432118D+00 -0.270454D+01 -0.449373D+00  0.221833D+00
      3  -0.413027D+00 -0.270454D+01  0.501120D+00  0.282668D+00  0.114395D+00
                21            22            23            24            25 
      1   0.282668D+00 -0.262038D+01  0.915639D+00  0.649485D-01  0.132942D+01
      2   0.114395D+00  0.915639D+00 -0.396607D+01  0.118727D+00 -0.364006D+00
      3   0.115236D+01  0.649485D-01  0.118727D+00 -0.133216D+00  0.240134D+01
                26            27            28            29            30 
      1  -0.364006D+00  0.240134D+01  0.435093D+01 -0.106932D+01 -0.625533D+00
      2   0.217261D+00  0.140919D+00 -0.106932D+01 -0.166896D+01 -0.498403D+00
      3   0.140919D+00  0.430804D+00 -0.625533D+00 -0.498403D+00  0.181799D+01
                31            32            33            34            35 
      1  -0.169579D+01 -0.268781D+01  0.129822D+00 -0.191027D+01 -0.101476D+01
      2  -0.268781D+01 -0.248972D+01 -0.309558D+00 -0.101476D+01  0.831288D-01
      3   0.129822D+00 -0.309558D+00  0.194983D+00  0.175433D+01 -0.478529D+00
                36            37            38            39            40 
      1   0.175433D+01 -0.481222D+01  0.158125D+01  0.300238D+00 -0.833792D+00
      2  -0.478529D+00  0.158125D+01  0.200336D+01  0.154957D-01  0.251245D+01
      3   0.725639D+01  0.300238D+00  0.154957D-01 -0.173947D+01  0.221393D+00
                41            42            43            44            45 
      1   0.251245D+01  0.221393D+00  0.100366D+01 -0.908553D+00 -0.196172D+01
      2  -0.983021D+00  0.376790D+00 -0.908553D+00  0.396618D+00  0.804719D+00
      3   0.376790D+00  0.932664D+00 -0.196172D+01  0.804719D+00 -0.762239D+01
                46            47            48            49            50 
      1   0.702945D+01 -0.252257D+01  0.118646D+01 -0.520467D+01 -0.202910D+01
      2  -0.252257D+01  0.913729D+00 -0.258561D-01 -0.202910D+01  0.458758D+00
      3   0.118646D+01 -0.258561D-01  0.518094D+00 -0.328096D+00 -0.324892D+00
                51            52            53            54            55 
      1  -0.328096D+00  0.206152D+01  0.211021D+00  0.271066D+00 -0.155412D+02
      2  -0.324892D+00  0.211021D+00  0.426986D+00 -0.614302D+00  0.141759D+01
      3  -0.110183D+01  0.271066D+00 -0.614302D+00  0.871514D+00 -0.139202D+01
                56            57            58            59            60 
      1   0.141759D+01 -0.139202D+01  0.217845D+01 -0.204153D+01  0.145630D+00
      2  -0.383321D+01  0.151532D+00 -0.204153D+01  0.184558D+01 -0.325442D+00
      3   0.151532D+00 -0.222622D+01  0.145630D+00 -0.325442D+00  0.929984D+00
                61            62            63            64            65 
      1  -0.221152D+01 -0.607756D-01 -0.359442D+01  0.554512D+01  0.163349D+01
      2  -0.607756D-01 -0.873882D+00  0.436108D+00  0.163349D+01  0.499910D+01
      3  -0.359442D+01  0.436108D+00 -0.166728D+01  0.480343D+00  0.123874D-01
                66            67            68            69            70 
      1   0.480343D+00  0.885673D+00  0.402900D+01 -0.173773D+00  0.119720D+01
      2   0.123874D-01  0.402900D+01  0.146041D+01  0.447993D+00  0.507378D+00
      3   0.286631D-01 -0.173773D+00  0.447993D+00 -0.523892D+00  0.602494D+00
                71            72            73            74            75 
      1   0.507378D+00  0.602494D+00  0.269980D+01  0.154510D+01  0.244738D+00
      2   0.127437D+01  0.106906D+01  0.154510D+01  0.157850D+01 -0.322819D+00
      3   0.106906D+01  0.515432D-01  0.244738D+00 -0.322819D+00  0.101824D+01
                76            77            78            79            80 
      1   0.248176D+01 -0.166435D+01 -0.444357D+00  0.830866D+00  0.315637D-01
      2  -0.166435D+01  0.741072D+01  0.166142D+00  0.315637D-01  0.396394D+00
      3  -0.444357D+00  0.166142D+00  0.313464D-01 -0.256413D+00  0.117928D+01
                81            82            83            84            85 
      1  -0.256413D+00 -0.884326D+01 -0.147944D+01  0.146590D-01  0.120198D+01
      2   0.117928D+01 -0.147944D+01 -0.138306D+01  0.161809D+00 -0.373335D+00
      3   0.519773D+00  0.146590D-01  0.161809D+00 -0.153767D+00  0.293571D+00
                86            87            88            89            90 
      1  -0.373335D+00  0.293571D+00 -0.294313D+00  0.163443D+00  0.910955D-01
      2  -0.792493D+01  0.101176D+00  0.163443D+00 -0.213424D+00 -0.201684D+01
      3   0.101176D+00 -0.951539D+00  0.910955D-01 -0.201684D+01  0.799609D-01
                91            92            93            94            95 
      1  -0.169077D+01  0.143414D+00 -0.109097D+01  0.293096D+00  0.450395D+00
      2   0.143414D+00 -0.757154D-02  0.862864D-01  0.450395D+00  0.687333D+00
      3  -0.109097D+01  0.862864D-01 -0.146744D+01 -0.734197D-01 -0.118572D+01
                96            97            98            99           100 
      1  -0.734197D-01 -0.142997D+01  0.302695D+00 -0.678945D+00  0.172746D+01
      2  -0.118572D+01  0.302695D+00 -0.186215D+01  0.634380D+00 -0.258434D+00
      3   0.652163D+00 -0.678945D+00  0.634380D+00 -0.848886D+01  0.119953D+01
               101           102           103           104           105 
      1  -0.258434D+00  0.119953D+01 -0.206383D+00 -0.390422D+00  0.112913D-01
      2  -0.168569D+00 -0.214666D-01 -0.390422D+00  0.295881D+00  0.114343D+01
      3  -0.214666D-01  0.150545D+01  0.112913D-01  0.114343D+01  0.302026D+00
               106           107           108           109           110 
      1   0.174795D+01  0.241781D+00  0.109104D+01  0.982856D+01 -0.502417D+00
      2   0.241781D+00  0.153892D+01  0.624653D-01 -0.502417D+00  0.142505D+01
      3   0.109104D+01  0.624653D-01  0.890577D+01 -0.100769D+00 -0.900646D-01
               111           112           113           114           115 
      1  -0.100769D+00 -0.408527D+00  0.363482D+00 -0.805962D-01  0.368472D+00
      2  -0.900646D-01  0.363482D+00 -0.182093D+01  0.100169D+00 -0.982982D-01
      3   0.405898D+00 -0.805962D-01  0.100169D+00 -0.550182D+00 -0.366492D-01
               116           117           118           119           120 
      1  -0.982982D-01 -0.366492D-01  0.234192D+01  0.149830D+01  0.256090D-01
      2   0.231963D+00 -0.599987D+00  0.149830D+01  0.838105D+00  0.432097D-01
      3  -0.599987D+00  0.148797D+00  0.256090D-01  0.432097D-01  0.743259D+00
               121           122           123           124           125 
      1   0.424776D+01  0.114533D+01  0.108892D+00 -0.153954D+00  0.378503D-01
      2   0.114533D+01  0.471632D+01 -0.404820D-01  0.378503D-01 -0.525714D-01
      3   0.108892D+00 -0.404820D-01  0.596419D+00  0.769272D+00  0.402045D+00
               126           127           128           129           130 
      1   0.769272D+00 -0.176548D+01  0.792577D+00 -0.258484D-01  0.220952D+01
      2   0.402045D+00  0.792577D+00 -0.266612D+01 -0.304912D-01 -0.930477D+00
      3   0.987549D-01 -0.258484D-01 -0.304912D-01 -0.277583D+00  0.152716D-01
               131           132           133           134           135 
      1  -0.930477D+00  0.152716D-01 -0.439306D+00  0.590268D-01  0.147920D+00
      2   0.684523D+01 -0.162563D+00  0.590268D-01 -0.580696D+00  0.933554D+00
      3  -0.162563D+00  0.115558D+01  0.147920D+00  0.933554D+00 -0.609576D-01
               136           137           138           139           140 
      1  -0.534163D+01  0.694801D+00 -0.500861D+00  0.763892D+00 -0.928816D+00
      2   0.694801D+00 -0.375992D+01  0.160680D+00 -0.928816D+00 -0.177429D+00
      3  -0.500861D+00  0.160680D+00 -0.136164D+01  0.116199D+00 -0.107018D+00
               141           142           143           144 
      1   0.116199D+00 -0.134643D+01  0.871284D-01 -0.635589D+00
      2  -0.107018D+00  0.871284D-01 -0.834829D+00  0.587067D+00
      3   0.239571D+00 -0.635589D+00  0.587067D+00 -0.497415D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.123447D+00 -0.504162D+00  0.114573D+01 -0.300948D+01  0.987656D+00
      2   0.121452D+01 -0.174839D+01 -0.533114D+01 -0.304420D+01 -0.367711D+00
      3   0.125832D+01 -0.520477D+01  0.875530D+00 -0.903130D+01 -0.643443D+01
                 6             7             8             9            10 
      1   0.808862D+01 -0.114890D+01  0.109683D+02 -0.202204D+01  0.416557D+00
      2   0.106994D+00 -0.152045D+02  0.327803D+01 -0.293601D+01 -0.265620D+00
      3   0.153271D+01  0.358415D+01  0.183116D+01 -0.175516D+01  0.737348D+01
                11            12            13            14            15 
      1   0.461640D+00 -0.728236D+00  0.242551D+00  0.178582D+01 -0.104899D+02
      2   0.271679D+00  0.346370D+01  0.160542D+00  0.616184D+00 -0.159065D+01
      3  -0.130982D+01 -0.715681D+00  0.190319D+02  0.174516D+02 -0.105424D+01
                16            17            18            19            20 
      1   0.174026D+01 -0.724984D+00  0.129807D+01  0.537472D+00 -0.153522D+00
      2  -0.244973D+01 -0.538183D+01  0.117146D+01  0.156896D+01  0.156259D+00
      3  -0.181458D+01 -0.445770D+00  0.526071D+01 -0.277921D+01 -0.748067D+01
                21            22            23            24            25 
      1  -0.161653D+00  0.580718D+00 -0.789128D+00 -0.233264D+01  0.190384D+01
      2   0.937553D+01  0.101330D+01  0.273132D+00 -0.157352D+01  0.553804D+01
      3  -0.250205D+00  0.115132D+01  0.173230D+02 -0.137805D+00 -0.112548D+01
                26            27            28            29            30 
      1   0.130828D+01  0.434003D+00  0.215613D+01  0.494630D+00  0.160158D+01
      2  -0.206832D+01  0.174900D+01 -0.207531D+01  0.167313D+00  0.221641D+01
      3  -0.151424D+01 -0.128102D+01 -0.108800D+01 -0.208684D+01 -0.142026D+00
                31            32            33            34            35 
      1   0.295997D+01  0.168650D+01 -0.155261D+01 -0.325956D+00  0.164244D+01
      2   0.186260D+01 -0.184249D+00 -0.243236D+01 -0.355770D+01 -0.763884D+00
      3   0.623471D+01  0.976105D+00 -0.454844D+00  0.317969D-01 -0.120701D+01
                36            37            38            39            40 
      1  -0.848670D+00 -0.228459D+01  0.194385D+01 -0.155342D+01  0.101974D+01
      2   0.297639D+01  0.149691D+00 -0.324232D+00  0.275672D+01 -0.163351D+01
      3   0.963200D+00  0.179484D+01 -0.102887D+01  0.436120D+00  0.711512D+01
                41            42            43            44            45 
      1  -0.187246D+00 -0.143073D+01  0.222103D+00  0.206850D+01  0.138920D+01
      2  -0.453197D+00  0.208453D+01 -0.390200D+01 -0.122860D+01  0.316971D+01
      3   0.209782D+01  0.373075D+00  0.218781D+00 -0.549214D+00 -0.264322D+00
                46            47            48            49            50 
      1   0.116164D+01 -0.514893D+01 -0.906600D+00 -0.335670D+01 -0.145790D+01
      2   0.297361D+01  0.233800D+01 -0.869634D+01  0.281439D+01  0.103116D+01
      3  -0.570531D+01  0.827360D+01 -0.128220D+01  0.947289D+00 -0.363176D+01
                51            52            53            54            55 
      1   0.630190D+01  0.274888D+01  0.140439D+02  0.104518D+01 -0.128523D+01
      2   0.202071D+01 -0.140325D+02 -0.310693D+01 -0.546669D+01  0.134251D+01
      3   0.122399D+01 -0.123117D+01  0.601880D+01 -0.796675D+00  0.956166D+01
                56            57            58            59            60 
      1   0.230285D+01  0.137716D+00  0.877216D+00 -0.376910D+00 -0.355343D+01
      2  -0.780180D+00  0.139953D+02 -0.105260D+01  0.854965D+00 -0.165952D+01
      3  -0.211815D+02  0.116468D+01 -0.152549D+01  0.902625D+01 -0.945941D+00
                61            62            63            64            65 
      1  -0.289779D+01  0.123205D+01 -0.109371D+01 -0.729491D+00 -0.113645D+00
      2   0.574288D+01  0.156115D+01  0.497473D+01  0.771474D+00  0.498197D+00
      3   0.839729D+00 -0.479483D+01  0.297806D+01  0.132389D+02 -0.121228D+02
                66            67            68            69            70 
      1  -0.270898D+01 -0.699661D+00 -0.270181D+01 -0.399623D+01 -0.108885D+01
      2   0.401543D+01 -0.787945D+00  0.229756D+00  0.194539D+01 -0.152112D+01
      3   0.429199D+00 -0.482009D+01  0.610093D+01 -0.276059D+00  0.286251D+01
                71            72            73            74            75 
      1   0.333177D+01 -0.171324D+01 -0.153807D+01 -0.756253D+00 -0.290797D+00
      2   0.122114D+01  0.970826D+00  0.372781D+00 -0.491007D+00  0.183497D+01
      3  -0.139701D+01 -0.404772D+00  0.140844D+02  0.855109D+01  0.133693D+01
                76            77            78            79            80 
      1  -0.605438D+00  0.181707D+01 -0.640123D+01 -0.121774D+00  0.111679D+01
      2   0.717105D+00 -0.258654D-01 -0.227389D+01 -0.294676D+01  0.135093D+00
      3   0.101772D+02  0.912643D+01  0.239851D-01  0.257522D+01  0.207164D+01
                81            82            83            84            85 
      1   0.346085D+00  0.277164D+00  0.107726D+01 -0.742125D+00 -0.370123D+00
      2  -0.264546D+00  0.386790D+00 -0.461490D+00  0.375842D+01 -0.555460D+00
      3   0.115049D+01  0.249116D+02 -0.685829D+01  0.752948D-01  0.574597D+01
                86            87            88            89            90 
      1  -0.104546D+01 -0.800525D+01 -0.197793D+01 -0.256004D+01 -0.304105D+00
      2  -0.243589D+00  0.246287D+00 -0.901868D+00  0.419984D+01  0.522706D+00
      3  -0.865533D+01 -0.321309D-01  0.138261D+01 -0.163345D+01 -0.341989D+01
                91            92            93            94            95 
      1  -0.681311D-01  0.211621D+00  0.798018D+00  0.544800D+00 -0.779745D+00
      2  -0.196058D+01  0.791471D-01 -0.987132D-01 -0.283605D-01 -0.723327D+00
      3  -0.108139D+01 -0.424209D+00 -0.488732D+00  0.100770D+01 -0.415868D+00
                96            97            98            99           100 
      1  -0.962915D-01  0.305306D+00  0.315060D+01  0.262759D+01 -0.196706D+00
      2   0.170714D+00 -0.351133D+01  0.362958D+00 -0.459614D+01 -0.200278D+01
      3   0.635995D+00 -0.991704D+00  0.144551D+01 -0.946375D+00  0.630390D+00
               101           102           103           104           105 
      1   0.264776D+00 -0.758943D+00  0.147511D+00 -0.170116D+00 -0.481718D-01
      2  -0.232572D+00 -0.103683D+00  0.201727D+00 -0.479635D+00 -0.150031D+00
      3  -0.106497D+01  0.548924D+00  0.684632D+00 -0.368864D+00  0.700405D+00
               106           107           108           109           110 
      1  -0.489958D+00  0.306692D+01 -0.321878D+01 -0.700386D+00 -0.126760D+00
      2  -0.414088D+01  0.179983D+00 -0.479363D+01 -0.890642D+00  0.161762D+00
      3   0.595636D+00  0.696461D+00  0.360879D+00 -0.308588D+02  0.888842D+01
               111           112           113           114           115 
      1   0.108539D+01 -0.642725D-01  0.292788D-01 -0.565792D+00  0.201839D+00
      2  -0.319415D+01  0.155574D+00 -0.252532D+00  0.334149D+00 -0.320669D+01
      3   0.271333D+00  0.451804D+01 -0.227149D+01  0.231193D+00 -0.132713D+01
               116           117           118           119           120 
      1   0.375551D+00  0.198567D+00  0.385225D+00 -0.172175D+00 -0.975696D+00
      2   0.584668D+00  0.713524D-01  0.316183D-01 -0.158585D+00  0.108056D+01
      3   0.352667D+00 -0.263036D+00 -0.525509D+01 -0.160809D+01 -0.131860D+00
               121           122           123           124           125 
      1  -0.109944D-01  0.800053D+00  0.113407D-01  0.194425D+00  0.138476D+01
      2   0.265901D-01  0.116995D+00  0.289626D+01  0.630989D+00  0.176853D+01
      3  -0.201918D+01 -0.223883D+02 -0.120072D+00 -0.157867D+00  0.465718D+00
               126           127           128           129           130 
      1   0.614912D-01 -0.113701D+00 -0.418763D-01  0.108652D+01 -0.145567D+00
      2   0.388315D-01 -0.524589D+00  0.121358D+00 -0.634260D+00  0.385524D+00
      3  -0.110086D+01 -0.106360D+02  0.631776D+01  0.976916D-01  0.100151D+02
               131           132           133           134           135 
      1   0.262471D+00 -0.283086D+01 -0.305540D+00 -0.982997D+00  0.159691D+00
      2  -0.364999D+00  0.806438D+00 -0.149759D+01  0.878766D+00  0.184938D+00
      3  -0.131867D+02  0.169357D+00 -0.157489D+01  0.807324D+00 -0.596640D+00
               136           137           138           139           140 
      1   0.210556D+01  0.260695D+00  0.297150D+01  0.585595D+00  0.638109D+00
      2   0.211687D+00 -0.958996D-01  0.252180D+01 -0.235270D+00 -0.270905D-01
      3  -0.157828D+02 -0.118514D+02 -0.172666D+01 -0.406484D+01 -0.441659D+01
               141           142           143           144 
      1  -0.592571D-01  0.137301D+01  0.769497D+00  0.114234D+01
      2  -0.931498D+00 -0.207378D+00 -0.195341D+01  0.922389D+00
      3  -0.564949D+00 -0.386761D+01 -0.214776D+01  0.115403D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.251570D+02  0.298160D+01 -0.360857D+00 -0.530571D+00  0.245289D+02
      2   0.150684D+02 -0.562006D+01  0.152148D+01  0.198027D+01 -0.308809D+02
      3   0.100886D+02  0.263847D+01 -0.116063D+01 -0.144970D+01  0.635209D+01
      4  -0.453415D+01  0.188258D+01  0.577488D-01 -0.365058D+01  0.977176D+01
      5  -0.107839D+01 -0.654378D+00 -0.839357D+01 -0.604968D+00  0.162335D+00
      6  -0.331622D+00  0.457555D+00 -0.341302D+01  0.101575D+01 -0.133568D+01
                 6             7             8             9            10 
      1  -0.126181D+01 -0.537882D+01 -0.243827D+01 -0.419746D+01 -0.261601D+01
      2  -0.200695D+00  0.355310D+01  0.271922D+01 -0.694899D+01  0.583404D+01
      3   0.146251D+01  0.182572D+01 -0.280949D+00  0.111465D+02 -0.321803D+01
      4  -0.380166D+00  0.228222D+01 -0.183044D+01  0.138084D+00 -0.221410D+01
      5  -0.199738D+01  0.400497D+01  0.150820D+01 -0.321130D+01  0.508618D+00
      6  -0.966337D+01 -0.754139D+00  0.259373D+01  0.210386D+01 -0.247848D+00
                11            12            13            14            15 
      1  -0.879034D+01  0.289970D+00 -0.131132D+02 -0.361674D+02  0.212827D+00
      2   0.816748D+01 -0.301330D+00  0.775056D+01  0.533371D+02 -0.467566D-01
      3   0.622863D+00  0.113605D-01  0.536261D+01 -0.171697D+02 -0.166070D+00
      4   0.152888D+02 -0.544371D+00  0.149640D+02 -0.265659D+02  0.506558D+00
      5  -0.722005D-01  0.520679D+01  0.244436D+00 -0.135350D+00 -0.326493D+01
      6  -0.156523D-01  0.163687D+01 -0.105031D+01  0.125944D+01  0.159848D+02
                16            17            18            19            20 
      1   0.659162D+00  0.140355D+01 -0.979981D+01  0.690334D+02 -0.228873D+01
      2  -0.100569D+01 -0.120134D+01  0.768915D+01 -0.416092D+02  0.161259D+01
      3   0.346526D+00 -0.202205D+00  0.211066D+01 -0.274242D+02  0.676149D+00
      4  -0.623888D+00  0.282704D+00 -0.746049D+01 -0.409518D+01  0.859494D+01
      5   0.310851D+01 -0.861896D+01  0.122798D+01  0.117128D+01  0.721101D+00
      6   0.729040D+00  0.141966D+02 -0.158073D+01  0.658261D+00 -0.239503D+00
                21            22            23            24            25 
      1   0.141930D+01 -0.110717D+02  0.244049D+01  0.168055D+00  0.454958D+01
      2  -0.843522D+00  0.550274D+01  0.416074D+00  0.146947D+00 -0.345683D+01
      3  -0.575774D+00  0.556899D+01 -0.285656D+01 -0.315002D+00 -0.109275D+01
      4   0.534096D+00  0.112028D+02 -0.189785D+02  0.852982D+00  0.183755D-01
      5   0.178253D+02  0.136952D+00  0.670036D+00 -0.141531D+01  0.196924D+02
      6   0.746344D-01  0.389518D+00 -0.273899D+00  0.431321D+01 -0.212243D+01
                26            27            28            29            30 
      1   0.737452D+00  0.107939D+02 -0.279695D+00  0.364659D+01  0.256320D+01
      2   0.180714D+00 -0.107409D+02  0.809011D+00 -0.982001D+01  0.241022D+01
      3  -0.918166D+00 -0.530702D-01 -0.529316D+00  0.617342D+01 -0.497343D+01
      4   0.853503D+00 -0.210870D+01 -0.579205D+01 -0.517589D+01 -0.125683D+01
      5   0.805561D-01  0.330251D+01 -0.224158D+01  0.780544D-01 -0.773687D+00
      6   0.339682D+01 -0.656539D+00  0.130618D+01 -0.195129D+01 -0.569939D+00
                31            32            33            34            35 
      1  -0.265219D+01 -0.166637D+01  0.137443D+01  0.160884D+01 -0.270795D+01
      2  -0.321202D+01 -0.255998D+01 -0.497954D+00  0.192362D+01 -0.448465D+01
      3   0.586421D+01  0.422635D+01 -0.876475D+00 -0.353246D+01  0.719261D+01
      4  -0.102199D+02 -0.129292D+02  0.473675D+00 -0.607288D+01  0.280312D+00
      5   0.169056D+00 -0.605849D+00 -0.311512D+01  0.184188D+01  0.156954D+01
      6   0.334223D+00 -0.138093D+00 -0.260526D+01  0.339775D+01  0.116272D-01
                36            37            38            39            40 
      1   0.109762D+02  0.252842D+01 -0.479495D+01  0.413746D+01  0.412280D+01
      2   0.865897D+01 -0.187478D+01  0.806761D+01  0.155062D+01  0.319880D+00
      3  -0.196351D+02 -0.653644D+00 -0.327266D+01 -0.568807D+01 -0.444268D+01
      4   0.257143D+01  0.339508D+01 -0.459157D+01 -0.363144D-01 -0.837483D+01
      5   0.295411D+01  0.305216D+00 -0.725156D+00  0.567864D-01  0.196978D+00
      6   0.938865D+01 -0.164988D+01 -0.242339D+00  0.197453D+01  0.186900D+01
                41            42            43            44            45 
      1  -0.354020D-01 -0.179559D+01  0.642162D+01  0.156994D+01  0.114135D+02
      2  -0.628974D+01 -0.183736D+01  0.927681D+00  0.143627D+01  0.963635D+01
      3   0.632514D+01  0.363295D+01 -0.734930D+01 -0.300621D+01 -0.210498D+02
      4   0.598929D+01  0.987838D+00  0.250743D+01 -0.945449D+00 -0.421669D+01
      5  -0.172337D+00  0.289603D+01  0.130983D+01 -0.245251D+01  0.290253D+01
      6  -0.750600D+00 -0.198952D+01 -0.347097D+01  0.233170D+01 -0.894374D+01
                46            47            48            49            50 
      1  -0.503473D+02  0.154049D+01 -0.249357D+01  0.191163D+02  0.182464D+02
      2   0.322719D+02  0.311988D+01  0.580476D+01 -0.129001D+02 -0.205718D+02
      3   0.180754D+02 -0.466038D+01 -0.331119D+01 -0.621623D+01  0.232539D+01
      4   0.532141D+01 -0.120567D+02 -0.646975D-01  0.475011D+01  0.192959D+01
      5  -0.594630D+01  0.862282D+00 -0.133891D+02  0.285316D+01  0.193258D+01
      6  -0.515886D+00 -0.307091D+00  0.296473D+01  0.226223D+01  0.199809D+01
                51            52            53            54            55 
      1   0.100161D+01 -0.117688D+02  0.132882D+01 -0.821554D+01  0.101441D+03
      2  -0.235277D+00  0.861425D+01  0.690104D+00 -0.325592D+01 -0.609447D+02
      3  -0.766330D+00  0.315450D+01 -0.201892D+01  0.114715D+02 -0.404967D+02
      4   0.212125D+01  0.591383D+00 -0.336537D+01  0.138283D+01 -0.170225D+01
      5   0.530408D+01  0.173381D+01  0.449501D+00 -0.715997D+01  0.817575D+01
      6  -0.932084D+01 -0.580523D+00  0.262932D+01 -0.539467D+00  0.263906D+00
                56            57            58            59            60 
      1  -0.686563D+01  0.559119D+01 -0.106871D+02  0.689663D+01 -0.532368D+00
      2   0.498619D+01 -0.566735D+01  0.808492D+01 -0.191478D+00  0.703989D+00
      3   0.187944D+01  0.761581D-01  0.260221D+01 -0.670515D+01 -0.171621D+00
      4   0.244638D+02 -0.408484D+00  0.176407D+02 -0.541463D+01  0.203494D+01
      5  -0.116210D+01  0.242750D+02 -0.110733D+01  0.173224D+01 -0.422768D+01
      6   0.436700D+00 -0.318664D+00  0.907709D+00  0.277518D+00  0.573700D+01
                61            62            63            64            65 
      1   0.948272D+01 -0.112857D+01  0.161886D+02  0.135528D+02 -0.118162D+02
      2  -0.830867D+01  0.146661D+00 -0.148248D+02 -0.562306D+01  0.211587D+02
      3  -0.117405D+01  0.981910D+00 -0.136379D+01 -0.792975D+01 -0.934249D+01
      4  -0.112556D+01  0.438370D+01 -0.181851D-01  0.159442D+02  0.188818D+02
      5   0.263119D+02 -0.152531D+01  0.110665D+02  0.137365D+01  0.346909D-01
      6   0.263901D+01  0.386272D+01  0.112145D+01  0.128000D+01 -0.224468D+00
                66            67            68            69            70 
      1   0.280509D+00 -0.750495D+01  0.445466D+01 -0.323483D+01  0.253115D+01
      2  -0.215062D+01  0.132700D+02  0.201526D+01  0.539105D+00 -0.100211D+01
      3   0.187011D+01 -0.576508D+01 -0.646991D+01  0.269573D+01 -0.152904D+01
      4   0.132028D+01  0.177546D+02  0.188033D+02  0.932280D+00  0.506684D+01
      5   0.752642D+01  0.789860D-01  0.112697D+01  0.342875D+01  0.598054D+01
      6   0.363557D+01 -0.966063D+00  0.293286D+01  0.685782D+01  0.370017D+01
                71            72            73            74            75 
      1  -0.224176D+01 -0.308606D+01 -0.553382D+01 -0.263233D+01 -0.231920D+01
      2   0.575508D+01 -0.138544D+01  0.564990D+01  0.686814D+00 -0.111709D+01
      3  -0.351333D+01  0.447150D+01 -0.116086D+00  0.194552D+01  0.343629D+01
      4   0.415626D+01  0.460329D+01  0.378109D+01  0.100139D+01  0.201162D+01
      5   0.345448D+01  0.142519D+01 -0.154342D+01  0.746224D+00  0.439813D+01
      6   0.694099D+01  0.221637D+01  0.180939D+01 -0.773515D+00  0.477278D+00
                76            77            78            79            80 
      1  -0.211124D+01 -0.200164D+02  0.214156D+01 -0.965169D+00 -0.139233D+01
      2  -0.251994D+01  0.334616D+02  0.165220D+01  0.945669D+00 -0.608794D+00
      3   0.463119D+01 -0.134451D+02 -0.379376D+01  0.195001D-01  0.200112D+01
      4   0.155608D+02 -0.248890D+02 -0.117690D+01  0.171804D+01 -0.481275D+00
      5  -0.669049D-02 -0.905217D+00 -0.472277D+01  0.358902D+01 -0.298157D+01
      6  -0.198471D+01  0.776638D+00  0.102998D+02 -0.151891D+01  0.795048D+01
                81            82            83            84            85 
      1  -0.551723D+01  0.121301D+02  0.465502D+01  0.560497D+00 -0.400072D+01
      2   0.183218D+01 -0.391311D+01 -0.253716D+01 -0.704015D+00  0.367476D+01
      3   0.368505D+01 -0.821698D+01 -0.211786D+01  0.143519D+00  0.325959D+00
      4  -0.317616D+01  0.211281D+02  0.212015D+02 -0.800606D+00  0.830659D+01
      5  -0.281351D+00  0.354673D+00 -0.786786D+00  0.697849D+01 -0.148113D+01
      6   0.950464D+00  0.479844D+00 -0.333687D+00  0.265965D+00 -0.193562D+01
                86            87            88            89            90 
      1  -0.267475D+02  0.258670D+00  0.257117D+00 -0.576648D+00 -0.802967D+01
      2   0.402229D+02 -0.380699D+00 -0.133418D+01  0.831855D-01  0.519640D+01
      3  -0.134754D+02  0.122028D+00  0.107706D+01  0.493463D+00  0.283327D+01
      4   0.202345D+02 -0.149793D+01 -0.187745D+00  0.295569D+00  0.664050D+01
      5  -0.212377D+01  0.157444D+01  0.409330D+01  0.696735D+01 -0.218946D+00
      6  -0.243425D+01  0.145658D+02  0.166334D+00  0.129500D+02 -0.622997D+00
                91            92            93            94            95 
      1  -0.172399D+01 -0.205853D-02 -0.340375D+01 -0.510769D+00 -0.332600D+01
      2  -0.288268D+01  0.372907D+00 -0.108286D+01  0.185691D+00  0.320316D+00
      3   0.460667D+01 -0.370848D+00  0.448661D+01  0.325078D+00  0.300569D+01
      4  -0.822119D+00  0.193219D+01 -0.133161D+01  0.269992D+01  0.122415D+01
      5   0.270028D+00 -0.607318D+00  0.515087D+01 -0.139856D+00 -0.612701D+00
      6  -0.181033D+01  0.857727D+00 -0.198741D+01  0.280789D+00 -0.201289D+01
                96            97            98            99           100 
      1   0.189423D+01 -0.385230D+01  0.332762D+01 -0.205368D+02 -0.222171D+01
      2  -0.137795D+01 -0.105120D+01 -0.967425D+00 -0.157751D+02 -0.280943D+01
      3  -0.516281D+00  0.490350D+01 -0.236020D+01  0.363118D+02  0.503114D+01
      4  -0.124348D+01 -0.102560D+01 -0.273344D+01 -0.254817D+00  0.120686D+01
      5   0.584522D+00  0.373439D+01  0.174362D+00 -0.598657D+01  0.407863D+00
      6   0.677491D+01 -0.106738D+01  0.537367D+01 -0.106734D+02  0.162624D+01
               101           102           103           104           105 
      1   0.543206D+00 -0.356969D+01  0.826742D+00 -0.304333D+01 -0.108130D+01
      2  -0.431739D+00 -0.109401D+01 -0.242492D+00 -0.144826D+00  0.197516D+01
      3  -0.111466D+00  0.466370D+01 -0.584250D+00  0.318816D+01 -0.893862D+00
      4   0.256060D+01  0.121810D+01  0.239222D+01 -0.264155D+00 -0.118660D+01
      5   0.240995D+00  0.567156D+01 -0.184930D+00 -0.480272D+00 -0.241621D+00
      6   0.702302D+00  0.164852D+01  0.784353D+00  0.120564D+01  0.659855D+01
               106           107           108           109           110 
      1  -0.562190D+01 -0.197431D+01 -0.222847D+02 -0.134016D+02  0.379127D+01
      2  -0.121181D+01  0.229790D+01 -0.164779D+02  0.679129D+01 -0.472259D+01
      3   0.683371D+01 -0.323593D+00  0.387626D+02  0.661027D+01  0.931326D+00
      4   0.159092D+01 -0.232920D+01  0.116738D+01 -0.174867D+02 -0.138176D+02
      5   0.393965D+01  0.101958D+00 -0.590269D+01 -0.606213D+00  0.453432D+00
      6   0.141518D+01  0.475635D+01  0.951298D+01 -0.625696D+00  0.360181D+00
               111           112           113           114           115 
      1  -0.543331D+00  0.169211D+01 -0.611579D+01  0.351723D+00  0.124881D+00
      2   0.145191D-01 -0.161308D+01  0.826145D+01 -0.340708D+00 -0.507318D-01
      3   0.528812D+00 -0.790271D-01 -0.214566D+01 -0.110151D-01 -0.741488D-01
      4   0.432708D+00  0.625206D+00  0.154447D+01  0.118222D+00 -0.475841D+00
      5  -0.576785D+01  0.401883D-01 -0.292289D+00  0.511833D+00  0.324192D+00
      6  -0.139751D+01  0.309957D+00 -0.492756D+00  0.159590D+01 -0.152047D+00
               116           117           118           119           120 
      1   0.714381D+00 -0.257176D+01  0.111154D+02  0.782321D+01  0.602039D-01
      2  -0.625278D+00  0.871934D+00 -0.495137D+01 -0.368249D+01  0.108438D+00
      3  -0.891035D-01  0.169983D+01 -0.616405D+01 -0.414072D+01 -0.168642D+00
      4   0.319489D+00  0.555774D+00  0.875817D+01  0.639630D+01  0.138971D-01
      5   0.889736D+00  0.224253D+00 -0.195397D+00  0.363482D-01  0.248850D+01
      6   0.283125D+01 -0.576115D+00 -0.605539D-03  0.517051D-01  0.142962D+01
               121           122           123           124           125 
      1   0.226177D+02  0.503661D+01  0.563948D+00 -0.960770D+00  0.103645D+00
      2  -0.132942D+02 -0.167020D+01 -0.589028D+00  0.417694D+00 -0.262729D+00
      3  -0.932345D+01 -0.336641D+01  0.250799D-01  0.543076D+00  0.159084D+00
      4   0.795942D+01  0.233991D+02 -0.135511D+00 -0.271389D-01 -0.223548D+00
      5   0.503697D+00 -0.259902D+00  0.467014D+01  0.499677D+01  0.287350D+01
      6   0.506777D-01  0.412585D+00 -0.122639D+00  0.760722D+00  0.171769D+01
               126           127           128           129           130 
      1   0.201251D+01 -0.442717D+01  0.987522D+01 -0.705323D+00  0.746289D+01
      2  -0.220704D+01  0.454483D+01 -0.132825D+02  0.170837D+00 -0.697181D+01
      3   0.194529D+00 -0.117656D+00  0.340731D+01  0.534486D+00 -0.491083D+00
      4   0.293544D+01 -0.400044D+01 -0.132892D+01 -0.164443D+00  0.384339D+01
      5   0.225210D+00 -0.176129D+00  0.102656D+00 -0.982932D+00  0.412076D-01
      6   0.617774D-01 -0.520873D+00  0.990001D+00 -0.136963D+01  0.645527D-01
               131           132           133           134           135 
      1  -0.226910D+02  0.759401D+00 -0.453906D+00  0.205204D+01 -0.363158D+01
      2   0.339006D+02 -0.106706D+01  0.590812D+00 -0.233375D+01  0.333455D+01
      3  -0.112096D+02  0.307655D+00 -0.136906D+00  0.281712D+00  0.297030D+00
      4   0.857197D+01 -0.391932D+00 -0.658280D+00 -0.762308D+00  0.949469D+00
      5  -0.748532D+00  0.182337D+01  0.111178D+01  0.992456D+00  0.378984D+00
      6  -0.200474D+01  0.465227D+01 -0.985270D-01  0.589480D+01 -0.686364D+00
               136           137           138           139           140 
      1   0.163503D+02  0.322041D+01  0.197134D+01 -0.409947D+01  0.461675D+01
      2  -0.658277D+01 -0.851895D+01 -0.359059D+00  0.871594D+00 -0.244850D+01
      3  -0.976756D+01  0.529854D+01 -0.161228D+01  0.322787D+01 -0.216825D+01
      4  -0.182228D+02  0.151502D+02 -0.197774D+01  0.487835D+01 -0.176172D+01
      5   0.182881D+01 -0.264493D+00  0.365189D+01 -0.739753D+00  0.712072D+00
      6  -0.172109D+01  0.231380D+00 -0.505153D+01  0.276401D+00 -0.416518D+00
               141           142           143           144 
      1  -0.156119D+00  0.162758D+01  0.188682D+01  0.537474D+00
      2   0.227212D+00 -0.129058D+01 -0.216073D+01 -0.155192D+01
      3  -0.710930D-01 -0.336998D+00  0.273912D+00  0.101444D+01
      4   0.593240D+00 -0.357827D+01  0.209951D+01 -0.370916D+01
      5  -0.180835D+01  0.455981D+01 -0.281822D+01  0.166202D+01
      6   0.244137D+00 -0.237819D+01  0.294552D+01 -0.207288D+01
 Leave Link  716 at Thu Jul  8 18:29:30 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.903328D+02  0.665076D+00  0.260846D+01
      2   0.665076D+00  0.803833D+02 -0.996646D+00
      3   0.260846D+01 -0.996646D+00  0.539226D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.268002D+01 -0.100999D+01 -0.708014D+01
      2  -0.298700D+01 -0.139194D+01 -0.397752D+01
      3  -0.116537D+02 -0.744667D+00 -0.480569D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.106197D+02  0.138290D+02 -0.863908D+01
      2   0.422472D+01 -0.668683D+01  0.557120D+01
      3   0.639501D+01 -0.714222D+01  0.306787D+01
      4   0.175134D+02 -0.387871D+01  0.489266D-01
      5  -0.832853D+01  0.450820D+00 -0.435988D+01
      6  -0.722580D+00  0.117146D+01  0.167166D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.261943D+01 -0.897341D+00 -0.202191D+00  0.247527D+01  0.208457D+01
      2  -0.897341D+00  0.280768D+01  0.923271D-01  0.208457D+01  0.548127D+01
      3  -0.202191D+00  0.923271D-01  0.650436D+00 -0.136835D+00 -0.436033D+00
                 6             7             8             9            10 
      1  -0.136835D+00 -0.103487D+01  0.746225D+00  0.448199D+00 -0.285872D+01
      2  -0.436033D+00  0.746225D+00 -0.580209D+00  0.164603D+00 -0.212762D+01
      3   0.293364D-01  0.448199D+00  0.164603D+00 -0.527531D+00  0.203950D+00
                11            12            13            14            15 
      1  -0.212762D+01  0.203950D+00 -0.576785D+01 -0.455007D+00  0.130057D+00
      2  -0.129994D+01  0.150979D+00 -0.455007D+00 -0.118394D+02  0.437283D+00
      3   0.150979D+00 -0.614258D+00  0.130057D+00  0.437283D+00 -0.180341D+01
                16            17            18            19            20 
      1   0.281527D+00  0.582868D-01 -0.413027D+00  0.994945D+01 -0.449373D+00
      2   0.582868D-01  0.432118D+00 -0.270454D+01 -0.449373D+00  0.221833D+00
      3  -0.413027D+00 -0.270454D+01  0.501120D+00  0.282668D+00  0.114395D+00
                21            22            23            24            25 
      1   0.282668D+00 -0.262038D+01  0.915639D+00  0.649485D-01  0.132942D+01
      2   0.114395D+00  0.915639D+00 -0.396607D+01  0.118727D+00 -0.364006D+00
      3   0.115236D+01  0.649485D-01  0.118727D+00 -0.133216D+00  0.240134D+01
                26            27            28            29            30 
      1  -0.364006D+00  0.240134D+01  0.435093D+01 -0.106932D+01 -0.625533D+00
      2   0.217261D+00  0.140919D+00 -0.106932D+01 -0.166896D+01 -0.498403D+00
      3   0.140919D+00  0.430804D+00 -0.625533D+00 -0.498403D+00  0.181799D+01
                31            32            33            34            35 
      1  -0.169579D+01 -0.268781D+01  0.129822D+00 -0.191027D+01 -0.101476D+01
      2  -0.268781D+01 -0.248972D+01 -0.309558D+00 -0.101476D+01  0.831288D-01
      3   0.129822D+00 -0.309558D+00  0.194983D+00  0.175433D+01 -0.478529D+00
                36            37            38            39            40 
      1   0.175433D+01 -0.481222D+01  0.158125D+01  0.300238D+00 -0.833792D+00
      2  -0.478529D+00  0.158125D+01  0.200336D+01  0.154957D-01  0.251245D+01
      3   0.725639D+01  0.300238D+00  0.154957D-01 -0.173947D+01  0.221393D+00
                41            42            43            44            45 
      1   0.251245D+01  0.221393D+00  0.100366D+01 -0.908553D+00 -0.196172D+01
      2  -0.983021D+00  0.376790D+00 -0.908553D+00  0.396618D+00  0.804719D+00
      3   0.376790D+00  0.932664D+00 -0.196172D+01  0.804719D+00 -0.762239D+01
                46            47            48            49            50 
      1   0.702945D+01 -0.252257D+01  0.118646D+01 -0.520467D+01 -0.202910D+01
      2  -0.252257D+01  0.913729D+00 -0.258561D-01 -0.202910D+01  0.458758D+00
      3   0.118646D+01 -0.258561D-01  0.518094D+00 -0.328096D+00 -0.324892D+00
                51            52            53            54            55 
      1  -0.328096D+00  0.206152D+01  0.211021D+00  0.271066D+00 -0.155412D+02
      2  -0.324892D+00  0.211021D+00  0.426986D+00 -0.614302D+00  0.141759D+01
      3  -0.110183D+01  0.271066D+00 -0.614302D+00  0.871514D+00 -0.139202D+01
                56            57            58            59            60 
      1   0.141759D+01 -0.139202D+01  0.217845D+01 -0.204153D+01  0.145630D+00
      2  -0.383321D+01  0.151532D+00 -0.204153D+01  0.184558D+01 -0.325442D+00
      3   0.151532D+00 -0.222622D+01  0.145630D+00 -0.325442D+00  0.929984D+00
                61            62            63            64            65 
      1  -0.221152D+01 -0.607756D-01 -0.359442D+01  0.554512D+01  0.163349D+01
      2  -0.607756D-01 -0.873882D+00  0.436108D+00  0.163349D+01  0.499910D+01
      3  -0.359442D+01  0.436108D+00 -0.166728D+01  0.480343D+00  0.123874D-01
                66            67            68            69            70 
      1   0.480343D+00  0.885673D+00  0.402900D+01 -0.173773D+00  0.119720D+01
      2   0.123874D-01  0.402900D+01  0.146041D+01  0.447993D+00  0.507378D+00
      3   0.286631D-01 -0.173773D+00  0.447993D+00 -0.523892D+00  0.602494D+00
                71            72            73            74            75 
      1   0.507378D+00  0.602494D+00  0.269980D+01  0.154510D+01  0.244738D+00
      2   0.127437D+01  0.106906D+01  0.154510D+01  0.157850D+01 -0.322819D+00
      3   0.106906D+01  0.515432D-01  0.244738D+00 -0.322819D+00  0.101824D+01
                76            77            78            79            80 
      1   0.248176D+01 -0.166435D+01 -0.444357D+00  0.830866D+00  0.315637D-01
      2  -0.166435D+01  0.741072D+01  0.166142D+00  0.315637D-01  0.396394D+00
      3  -0.444357D+00  0.166142D+00  0.313464D-01 -0.256413D+00  0.117928D+01
                81            82            83            84            85 
      1  -0.256413D+00 -0.884326D+01 -0.147944D+01  0.146590D-01  0.120198D+01
      2   0.117928D+01 -0.147944D+01 -0.138306D+01  0.161809D+00 -0.373335D+00
      3   0.519773D+00  0.146590D-01  0.161809D+00 -0.153767D+00  0.293571D+00
                86            87            88            89            90 
      1  -0.373335D+00  0.293571D+00 -0.294313D+00  0.163443D+00  0.910955D-01
      2  -0.792493D+01  0.101176D+00  0.163443D+00 -0.213424D+00 -0.201684D+01
      3   0.101176D+00 -0.951539D+00  0.910955D-01 -0.201684D+01  0.799609D-01
                91            92            93            94            95 
      1  -0.169077D+01  0.143414D+00 -0.109097D+01  0.293096D+00  0.450395D+00
      2   0.143414D+00 -0.757154D-02  0.862864D-01  0.450395D+00  0.687333D+00
      3  -0.109097D+01  0.862864D-01 -0.146744D+01 -0.734197D-01 -0.118572D+01
                96            97            98            99           100 
      1  -0.734197D-01 -0.142997D+01  0.302695D+00 -0.678945D+00  0.172746D+01
      2  -0.118572D+01  0.302695D+00 -0.186215D+01  0.634380D+00 -0.258434D+00
      3   0.652163D+00 -0.678945D+00  0.634380D+00 -0.848886D+01  0.119953D+01
               101           102           103           104           105 
      1  -0.258434D+00  0.119953D+01 -0.206383D+00 -0.390422D+00  0.112913D-01
      2  -0.168569D+00 -0.214666D-01 -0.390422D+00  0.295881D+00  0.114343D+01
      3  -0.214666D-01  0.150545D+01  0.112913D-01  0.114343D+01  0.302026D+00
               106           107           108           109           110 
      1   0.174795D+01  0.241781D+00  0.109104D+01  0.982856D+01 -0.502417D+00
      2   0.241781D+00  0.153892D+01  0.624653D-01 -0.502417D+00  0.142505D+01
      3   0.109104D+01  0.624653D-01  0.890577D+01 -0.100769D+00 -0.900646D-01
               111           112           113           114           115 
      1  -0.100769D+00 -0.408527D+00  0.363482D+00 -0.805962D-01  0.368472D+00
      2  -0.900646D-01  0.363482D+00 -0.182093D+01  0.100169D+00 -0.982982D-01
      3   0.405898D+00 -0.805962D-01  0.100169D+00 -0.550182D+00 -0.366492D-01
               116           117           118           119           120 
      1  -0.982982D-01 -0.366492D-01  0.234192D+01  0.149830D+01  0.256090D-01
      2   0.231963D+00 -0.599987D+00  0.149830D+01  0.838105D+00  0.432097D-01
      3  -0.599987D+00  0.148797D+00  0.256090D-01  0.432097D-01  0.743259D+00
               121           122           123           124           125 
      1   0.424776D+01  0.114533D+01  0.108892D+00 -0.153954D+00  0.378503D-01
      2   0.114533D+01  0.471632D+01 -0.404820D-01  0.378503D-01 -0.525714D-01
      3   0.108892D+00 -0.404820D-01  0.596419D+00  0.769272D+00  0.402045D+00
               126           127           128           129           130 
      1   0.769272D+00 -0.176548D+01  0.792577D+00 -0.258484D-01  0.220952D+01
      2   0.402045D+00  0.792577D+00 -0.266612D+01 -0.304912D-01 -0.930477D+00
      3   0.987549D-01 -0.258484D-01 -0.304912D-01 -0.277583D+00  0.152716D-01
               131           132           133           134           135 
      1  -0.930477D+00  0.152716D-01 -0.439306D+00  0.590268D-01  0.147920D+00
      2   0.684523D+01 -0.162563D+00  0.590268D-01 -0.580696D+00  0.933554D+00
      3  -0.162563D+00  0.115558D+01  0.147920D+00  0.933554D+00 -0.609576D-01
               136           137           138           139           140 
      1  -0.534163D+01  0.694801D+00 -0.500861D+00  0.763892D+00 -0.928816D+00
      2   0.694801D+00 -0.375992D+01  0.160680D+00 -0.928816D+00 -0.177429D+00
      3  -0.500861D+00  0.160680D+00 -0.136164D+01  0.116199D+00 -0.107018D+00
               141           142           143           144 
      1   0.116199D+00 -0.134643D+01  0.871284D-01 -0.635589D+00
      2  -0.107018D+00  0.871284D-01 -0.834829D+00  0.587067D+00
      3   0.239571D+00 -0.635589D+00  0.587067D+00 -0.497415D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.123447D+00 -0.504162D+00  0.114573D+01 -0.300948D+01  0.987656D+00
      2   0.121452D+01 -0.174839D+01 -0.533114D+01 -0.304420D+01 -0.367711D+00
      3   0.125832D+01 -0.520477D+01  0.875530D+00 -0.903130D+01 -0.643443D+01
                 6             7             8             9            10 
      1   0.808862D+01 -0.114890D+01  0.109683D+02 -0.202204D+01  0.416557D+00
      2   0.106994D+00 -0.152045D+02  0.327803D+01 -0.293601D+01 -0.265620D+00
      3   0.153271D+01  0.358415D+01  0.183116D+01 -0.175516D+01  0.737348D+01
                11            12            13            14            15 
      1   0.461640D+00 -0.728236D+00  0.242551D+00  0.178582D+01 -0.104899D+02
      2   0.271679D+00  0.346370D+01  0.160542D+00  0.616184D+00 -0.159065D+01
      3  -0.130982D+01 -0.715681D+00  0.190319D+02  0.174516D+02 -0.105424D+01
                16            17            18            19            20 
      1   0.174026D+01 -0.724984D+00  0.129807D+01  0.537472D+00 -0.153522D+00
      2  -0.244973D+01 -0.538183D+01  0.117146D+01  0.156896D+01  0.156259D+00
      3  -0.181458D+01 -0.445770D+00  0.526071D+01 -0.277921D+01 -0.748067D+01
                21            22            23            24            25 
      1  -0.161653D+00  0.580718D+00 -0.789128D+00 -0.233264D+01  0.190384D+01
      2   0.937553D+01  0.101330D+01  0.273132D+00 -0.157352D+01  0.553804D+01
      3  -0.250205D+00  0.115132D+01  0.173230D+02 -0.137805D+00 -0.112548D+01
                26            27            28            29            30 
      1   0.130828D+01  0.434003D+00  0.215613D+01  0.494630D+00  0.160158D+01
      2  -0.206832D+01  0.174900D+01 -0.207531D+01  0.167313D+00  0.221641D+01
      3  -0.151424D+01 -0.128102D+01 -0.108800D+01 -0.208684D+01 -0.142026D+00
                31            32            33            34            35 
      1   0.295997D+01  0.168650D+01 -0.155261D+01 -0.325956D+00  0.164244D+01
      2   0.186260D+01 -0.184249D+00 -0.243236D+01 -0.355770D+01 -0.763884D+00
      3   0.623471D+01  0.976105D+00 -0.454844D+00  0.317969D-01 -0.120701D+01
                36            37            38            39            40 
      1  -0.848670D+00 -0.228459D+01  0.194385D+01 -0.155342D+01  0.101974D+01
      2   0.297639D+01  0.149691D+00 -0.324232D+00  0.275672D+01 -0.163351D+01
      3   0.963200D+00  0.179484D+01 -0.102887D+01  0.436120D+00  0.711512D+01
                41            42            43            44            45 
      1  -0.187246D+00 -0.143073D+01  0.222103D+00  0.206850D+01  0.138920D+01
      2  -0.453197D+00  0.208453D+01 -0.390200D+01 -0.122860D+01  0.316971D+01
      3   0.209782D+01  0.373075D+00  0.218781D+00 -0.549214D+00 -0.264322D+00
                46            47            48            49            50 
      1   0.116164D+01 -0.514893D+01 -0.906600D+00 -0.335670D+01 -0.145790D+01
      2   0.297361D+01  0.233800D+01 -0.869634D+01  0.281439D+01  0.103116D+01
      3  -0.570531D+01  0.827360D+01 -0.128220D+01  0.947289D+00 -0.363176D+01
                51            52            53            54            55 
      1   0.630190D+01  0.274888D+01  0.140439D+02  0.104518D+01 -0.128523D+01
      2   0.202071D+01 -0.140325D+02 -0.310693D+01 -0.546669D+01  0.134251D+01
      3   0.122399D+01 -0.123117D+01  0.601880D+01 -0.796675D+00  0.956166D+01
                56            57            58            59            60 
      1   0.230285D+01  0.137716D+00  0.877216D+00 -0.376910D+00 -0.355343D+01
      2  -0.780180D+00  0.139953D+02 -0.105260D+01  0.854965D+00 -0.165952D+01
      3  -0.211815D+02  0.116468D+01 -0.152549D+01  0.902625D+01 -0.945941D+00
                61            62            63            64            65 
      1  -0.289779D+01  0.123205D+01 -0.109371D+01 -0.729491D+00 -0.113645D+00
      2   0.574288D+01  0.156115D+01  0.497473D+01  0.771474D+00  0.498197D+00
      3   0.839729D+00 -0.479483D+01  0.297806D+01  0.132389D+02 -0.121228D+02
                66            67            68            69            70 
      1  -0.270898D+01 -0.699661D+00 -0.270181D+01 -0.399623D+01 -0.108885D+01
      2   0.401543D+01 -0.787945D+00  0.229756D+00  0.194539D+01 -0.152112D+01
      3   0.429199D+00 -0.482009D+01  0.610093D+01 -0.276059D+00  0.286251D+01
                71            72            73            74            75 
      1   0.333177D+01 -0.171324D+01 -0.153807D+01 -0.756253D+00 -0.290797D+00
      2   0.122114D+01  0.970826D+00  0.372781D+00 -0.491007D+00  0.183497D+01
      3  -0.139701D+01 -0.404772D+00  0.140844D+02  0.855109D+01  0.133693D+01
                76            77            78            79            80 
      1  -0.605438D+00  0.181707D+01 -0.640123D+01 -0.121774D+00  0.111679D+01
      2   0.717105D+00 -0.258654D-01 -0.227389D+01 -0.294676D+01  0.135093D+00
      3   0.101772D+02  0.912643D+01  0.239851D-01  0.257522D+01  0.207164D+01
                81            82            83            84            85 
      1   0.346085D+00  0.277164D+00  0.107726D+01 -0.742125D+00 -0.370123D+00
      2  -0.264546D+00  0.386790D+00 -0.461490D+00  0.375842D+01 -0.555460D+00
      3   0.115049D+01  0.249116D+02 -0.685829D+01  0.752948D-01  0.574597D+01
                86            87            88            89            90 
      1  -0.104546D+01 -0.800525D+01 -0.197793D+01 -0.256004D+01 -0.304105D+00
      2  -0.243589D+00  0.246287D+00 -0.901868D+00  0.419984D+01  0.522706D+00
      3  -0.865533D+01 -0.321309D-01  0.138261D+01 -0.163345D+01 -0.341989D+01
                91            92            93            94            95 
      1  -0.681311D-01  0.211621D+00  0.798018D+00  0.544800D+00 -0.779745D+00
      2  -0.196058D+01  0.791471D-01 -0.987132D-01 -0.283605D-01 -0.723327D+00
      3  -0.108139D+01 -0.424209D+00 -0.488732D+00  0.100770D+01 -0.415868D+00
                96            97            98            99           100 
      1  -0.962915D-01  0.305306D+00  0.315060D+01  0.262759D+01 -0.196706D+00
      2   0.170714D+00 -0.351133D+01  0.362958D+00 -0.459614D+01 -0.200278D+01
      3   0.635995D+00 -0.991704D+00  0.144551D+01 -0.946375D+00  0.630390D+00
               101           102           103           104           105 
      1   0.264776D+00 -0.758943D+00  0.147511D+00 -0.170116D+00 -0.481718D-01
      2  -0.232572D+00 -0.103683D+00  0.201727D+00 -0.479635D+00 -0.150031D+00
      3  -0.106497D+01  0.548924D+00  0.684632D+00 -0.368864D+00  0.700405D+00
               106           107           108           109           110 
      1  -0.489958D+00  0.306692D+01 -0.321878D+01 -0.700386D+00 -0.126760D+00
      2  -0.414088D+01  0.179983D+00 -0.479363D+01 -0.890642D+00  0.161762D+00
      3   0.595636D+00  0.696461D+00  0.360879D+00 -0.308588D+02  0.888842D+01
               111           112           113           114           115 
      1   0.108539D+01 -0.642725D-01  0.292788D-01 -0.565792D+00  0.201839D+00
      2  -0.319415D+01  0.155574D+00 -0.252532D+00  0.334149D+00 -0.320669D+01
      3   0.271333D+00  0.451804D+01 -0.227149D+01  0.231193D+00 -0.132713D+01
               116           117           118           119           120 
      1   0.375551D+00  0.198567D+00  0.385225D+00 -0.172175D+00 -0.975696D+00
      2   0.584668D+00  0.713524D-01  0.316183D-01 -0.158585D+00  0.108056D+01
      3   0.352667D+00 -0.263036D+00 -0.525509D+01 -0.160809D+01 -0.131860D+00
               121           122           123           124           125 
      1  -0.109944D-01  0.800053D+00  0.113407D-01  0.194425D+00  0.138476D+01
      2   0.265901D-01  0.116995D+00  0.289626D+01  0.630989D+00  0.176853D+01
      3  -0.201918D+01 -0.223883D+02 -0.120072D+00 -0.157867D+00  0.465718D+00
               126           127           128           129           130 
      1   0.614912D-01 -0.113701D+00 -0.418763D-01  0.108652D+01 -0.145567D+00
      2   0.388315D-01 -0.524589D+00  0.121358D+00 -0.634260D+00  0.385524D+00
      3  -0.110086D+01 -0.106360D+02  0.631776D+01  0.976916D-01  0.100151D+02
               131           132           133           134           135 
      1   0.262471D+00 -0.283086D+01 -0.305540D+00 -0.982997D+00  0.159691D+00
      2  -0.364999D+00  0.806438D+00 -0.149759D+01  0.878766D+00  0.184938D+00
      3  -0.131867D+02  0.169357D+00 -0.157489D+01  0.807324D+00 -0.596640D+00
               136           137           138           139           140 
      1   0.210556D+01  0.260695D+00  0.297150D+01  0.585595D+00  0.638109D+00
      2   0.211687D+00 -0.958996D-01  0.252180D+01 -0.235270D+00 -0.270905D-01
      3  -0.157828D+02 -0.118514D+02 -0.172666D+01 -0.406484D+01 -0.441659D+01
               141           142           143           144 
      1  -0.592571D-01  0.137301D+01  0.769497D+00  0.114234D+01
      2  -0.931498D+00 -0.207378D+00 -0.195341D+01  0.922389D+00
      3  -0.564949D+00 -0.386761D+01 -0.214776D+01  0.115403D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.251570D+02  0.298160D+01 -0.360857D+00 -0.530571D+00  0.245289D+02
      2   0.150684D+02 -0.562006D+01  0.152148D+01  0.198027D+01 -0.308809D+02
      3   0.100886D+02  0.263847D+01 -0.116063D+01 -0.144970D+01  0.635209D+01
      4  -0.453415D+01  0.188258D+01  0.577488D-01 -0.365058D+01  0.977176D+01
      5  -0.107839D+01 -0.654378D+00 -0.839357D+01 -0.604968D+00  0.162335D+00
      6  -0.331622D+00  0.457555D+00 -0.341302D+01  0.101575D+01 -0.133568D+01
                 6             7             8             9            10 
      1  -0.126181D+01 -0.537882D+01 -0.243827D+01 -0.419746D+01 -0.261601D+01
      2  -0.200695D+00  0.355310D+01  0.271922D+01 -0.694899D+01  0.583404D+01
      3   0.146251D+01  0.182572D+01 -0.280949D+00  0.111465D+02 -0.321803D+01
      4  -0.380166D+00  0.228222D+01 -0.183044D+01  0.138084D+00 -0.221410D+01
      5  -0.199738D+01  0.400497D+01  0.150820D+01 -0.321130D+01  0.508618D+00
      6  -0.966337D+01 -0.754139D+00  0.259373D+01  0.210386D+01 -0.247848D+00
                11            12            13            14            15 
      1  -0.879034D+01  0.289970D+00 -0.131132D+02 -0.361674D+02  0.212827D+00
      2   0.816748D+01 -0.301330D+00  0.775056D+01  0.533371D+02 -0.467566D-01
      3   0.622863D+00  0.113605D-01  0.536261D+01 -0.171697D+02 -0.166070D+00
      4   0.152888D+02 -0.544371D+00  0.149640D+02 -0.265659D+02  0.506558D+00
      5  -0.722005D-01  0.520679D+01  0.244436D+00 -0.135350D+00 -0.326493D+01
      6  -0.156523D-01  0.163687D+01 -0.105031D+01  0.125944D+01  0.159848D+02
                16            17            18            19            20 
      1   0.659162D+00  0.140355D+01 -0.979981D+01  0.690334D+02 -0.228873D+01
      2  -0.100569D+01 -0.120134D+01  0.768915D+01 -0.416092D+02  0.161259D+01
      3   0.346526D+00 -0.202205D+00  0.211066D+01 -0.274242D+02  0.676149D+00
      4  -0.623888D+00  0.282704D+00 -0.746049D+01 -0.409518D+01  0.859494D+01
      5   0.310851D+01 -0.861896D+01  0.122798D+01  0.117128D+01  0.721101D+00
      6   0.729040D+00  0.141966D+02 -0.158073D+01  0.658261D+00 -0.239503D+00
                21            22            23            24            25 
      1   0.141930D+01 -0.110717D+02  0.244049D+01  0.168055D+00  0.454958D+01
      2  -0.843522D+00  0.550274D+01  0.416074D+00  0.146947D+00 -0.345683D+01
      3  -0.575774D+00  0.556899D+01 -0.285656D+01 -0.315002D+00 -0.109275D+01
      4   0.534096D+00  0.112028D+02 -0.189785D+02  0.852982D+00  0.183755D-01
      5   0.178253D+02  0.136952D+00  0.670036D+00 -0.141531D+01  0.196924D+02
      6   0.746344D-01  0.389518D+00 -0.273899D+00  0.431321D+01 -0.212243D+01
                26            27            28            29            30 
      1   0.737452D+00  0.107939D+02 -0.279695D+00  0.364659D+01  0.256320D+01
      2   0.180714D+00 -0.107409D+02  0.809011D+00 -0.982001D+01  0.241022D+01
      3  -0.918166D+00 -0.530702D-01 -0.529316D+00  0.617342D+01 -0.497343D+01
      4   0.853503D+00 -0.210870D+01 -0.579205D+01 -0.517589D+01 -0.125683D+01
      5   0.805561D-01  0.330251D+01 -0.224158D+01  0.780544D-01 -0.773687D+00
      6   0.339682D+01 -0.656539D+00  0.130618D+01 -0.195129D+01 -0.569939D+00
                31            32            33            34            35 
      1  -0.265219D+01 -0.166637D+01  0.137443D+01  0.160884D+01 -0.270795D+01
      2  -0.321202D+01 -0.255998D+01 -0.497954D+00  0.192362D+01 -0.448465D+01
      3   0.586421D+01  0.422635D+01 -0.876475D+00 -0.353246D+01  0.719261D+01
      4  -0.102199D+02 -0.129292D+02  0.473675D+00 -0.607288D+01  0.280312D+00
      5   0.169056D+00 -0.605849D+00 -0.311512D+01  0.184188D+01  0.156954D+01
      6   0.334223D+00 -0.138093D+00 -0.260526D+01  0.339775D+01  0.116272D-01
                36            37            38            39            40 
      1   0.109762D+02  0.252842D+01 -0.479495D+01  0.413746D+01  0.412280D+01
      2   0.865897D+01 -0.187478D+01  0.806761D+01  0.155062D+01  0.319880D+00
      3  -0.196351D+02 -0.653644D+00 -0.327266D+01 -0.568807D+01 -0.444268D+01
      4   0.257143D+01  0.339508D+01 -0.459157D+01 -0.363144D-01 -0.837483D+01
      5   0.295411D+01  0.305216D+00 -0.725156D+00  0.567864D-01  0.196978D+00
      6   0.938865D+01 -0.164988D+01 -0.242339D+00  0.197453D+01  0.186900D+01
                41            42            43            44            45 
      1  -0.354020D-01 -0.179559D+01  0.642162D+01  0.156994D+01  0.114135D+02
      2  -0.628974D+01 -0.183736D+01  0.927681D+00  0.143627D+01  0.963635D+01
      3   0.632514D+01  0.363295D+01 -0.734930D+01 -0.300621D+01 -0.210498D+02
      4   0.598929D+01  0.987838D+00  0.250743D+01 -0.945449D+00 -0.421669D+01
      5  -0.172337D+00  0.289603D+01  0.130983D+01 -0.245251D+01  0.290253D+01
      6  -0.750600D+00 -0.198952D+01 -0.347097D+01  0.233170D+01 -0.894374D+01
                46            47            48            49            50 
      1  -0.503473D+02  0.154049D+01 -0.249357D+01  0.191163D+02  0.182464D+02
      2   0.322719D+02  0.311988D+01  0.580476D+01 -0.129001D+02 -0.205718D+02
      3   0.180754D+02 -0.466038D+01 -0.331119D+01 -0.621623D+01  0.232539D+01
      4   0.532141D+01 -0.120567D+02 -0.646975D-01  0.475011D+01  0.192959D+01
      5  -0.594630D+01  0.862282D+00 -0.133891D+02  0.285316D+01  0.193258D+01
      6  -0.515886D+00 -0.307091D+00  0.296473D+01  0.226223D+01  0.199809D+01
                51            52            53            54            55 
      1   0.100161D+01 -0.117688D+02  0.132882D+01 -0.821554D+01  0.101441D+03
      2  -0.235277D+00  0.861425D+01  0.690104D+00 -0.325592D+01 -0.609447D+02
      3  -0.766330D+00  0.315450D+01 -0.201892D+01  0.114715D+02 -0.404967D+02
      4   0.212125D+01  0.591383D+00 -0.336537D+01  0.138283D+01 -0.170225D+01
      5   0.530408D+01  0.173381D+01  0.449501D+00 -0.715997D+01  0.817575D+01
      6  -0.932084D+01 -0.580523D+00  0.262932D+01 -0.539467D+00  0.263906D+00
                56            57            58            59            60 
      1  -0.686563D+01  0.559119D+01 -0.106871D+02  0.689663D+01 -0.532368D+00
      2   0.498619D+01 -0.566735D+01  0.808492D+01 -0.191478D+00  0.703989D+00
      3   0.187944D+01  0.761581D-01  0.260221D+01 -0.670515D+01 -0.171621D+00
      4   0.244638D+02 -0.408484D+00  0.176407D+02 -0.541463D+01  0.203494D+01
      5  -0.116210D+01  0.242750D+02 -0.110733D+01  0.173224D+01 -0.422768D+01
      6   0.436700D+00 -0.318664D+00  0.907709D+00  0.277518D+00  0.573700D+01
                61            62            63            64            65 
      1   0.948272D+01 -0.112857D+01  0.161886D+02  0.135528D+02 -0.118162D+02
      2  -0.830867D+01  0.146661D+00 -0.148248D+02 -0.562306D+01  0.211587D+02
      3  -0.117405D+01  0.981910D+00 -0.136379D+01 -0.792975D+01 -0.934249D+01
      4  -0.112556D+01  0.438370D+01 -0.181851D-01  0.159442D+02  0.188818D+02
      5   0.263119D+02 -0.152531D+01  0.110665D+02  0.137365D+01  0.346909D-01
      6   0.263901D+01  0.386272D+01  0.112145D+01  0.128000D+01 -0.224468D+00
                66            67            68            69            70 
      1   0.280509D+00 -0.750495D+01  0.445466D+01 -0.323483D+01  0.253115D+01
      2  -0.215062D+01  0.132700D+02  0.201526D+01  0.539105D+00 -0.100211D+01
      3   0.187011D+01 -0.576508D+01 -0.646991D+01  0.269573D+01 -0.152904D+01
      4   0.132028D+01  0.177546D+02  0.188033D+02  0.932280D+00  0.506684D+01
      5   0.752642D+01  0.789860D-01  0.112697D+01  0.342875D+01  0.598054D+01
      6   0.363557D+01 -0.966063D+00  0.293286D+01  0.685782D+01  0.370017D+01
                71            72            73            74            75 
      1  -0.224176D+01 -0.308606D+01 -0.553382D+01 -0.263233D+01 -0.231920D+01
      2   0.575508D+01 -0.138544D+01  0.564990D+01  0.686814D+00 -0.111709D+01
      3  -0.351333D+01  0.447150D+01 -0.116086D+00  0.194552D+01  0.343629D+01
      4   0.415626D+01  0.460329D+01  0.378109D+01  0.100139D+01  0.201162D+01
      5   0.345448D+01  0.142519D+01 -0.154342D+01  0.746224D+00  0.439813D+01
      6   0.694099D+01  0.221637D+01  0.180939D+01 -0.773515D+00  0.477278D+00
                76            77            78            79            80 
      1  -0.211124D+01 -0.200164D+02  0.214156D+01 -0.965169D+00 -0.139233D+01
      2  -0.251994D+01  0.334616D+02  0.165220D+01  0.945669D+00 -0.608794D+00
      3   0.463119D+01 -0.134451D+02 -0.379376D+01  0.195001D-01  0.200112D+01
      4   0.155608D+02 -0.248890D+02 -0.117690D+01  0.171804D+01 -0.481275D+00
      5  -0.669049D-02 -0.905217D+00 -0.472277D+01  0.358902D+01 -0.298157D+01
      6  -0.198471D+01  0.776638D+00  0.102998D+02 -0.151891D+01  0.795048D+01
                81            82            83            84            85 
      1  -0.551723D+01  0.121301D+02  0.465502D+01  0.560497D+00 -0.400072D+01
      2   0.183218D+01 -0.391311D+01 -0.253716D+01 -0.704015D+00  0.367476D+01
      3   0.368505D+01 -0.821698D+01 -0.211786D+01  0.143519D+00  0.325959D+00
      4  -0.317616D+01  0.211281D+02  0.212015D+02 -0.800606D+00  0.830659D+01
      5  -0.281351D+00  0.354673D+00 -0.786786D+00  0.697849D+01 -0.148113D+01
      6   0.950464D+00  0.479844D+00 -0.333687D+00  0.265965D+00 -0.193562D+01
                86            87            88            89            90 
      1  -0.267475D+02  0.258670D+00  0.257117D+00 -0.576648D+00 -0.802967D+01
      2   0.402229D+02 -0.380699D+00 -0.133418D+01  0.831855D-01  0.519640D+01
      3  -0.134754D+02  0.122028D+00  0.107706D+01  0.493463D+00  0.283327D+01
      4   0.202345D+02 -0.149793D+01 -0.187745D+00  0.295569D+00  0.664050D+01
      5  -0.212377D+01  0.157444D+01  0.409330D+01  0.696735D+01 -0.218946D+00
      6  -0.243425D+01  0.145658D+02  0.166334D+00  0.129500D+02 -0.622997D+00
                91            92            93            94            95 
      1  -0.172399D+01 -0.205853D-02 -0.340375D+01 -0.510769D+00 -0.332600D+01
      2  -0.288268D+01  0.372907D+00 -0.108286D+01  0.185691D+00  0.320316D+00
      3   0.460667D+01 -0.370848D+00  0.448661D+01  0.325078D+00  0.300569D+01
      4  -0.822119D+00  0.193219D+01 -0.133161D+01  0.269992D+01  0.122415D+01
      5   0.270028D+00 -0.607318D+00  0.515087D+01 -0.139856D+00 -0.612701D+00
      6  -0.181033D+01  0.857727D+00 -0.198741D+01  0.280789D+00 -0.201289D+01
                96            97            98            99           100 
      1   0.189423D+01 -0.385230D+01  0.332762D+01 -0.205368D+02 -0.222171D+01
      2  -0.137795D+01 -0.105120D+01 -0.967425D+00 -0.157751D+02 -0.280943D+01
      3  -0.516281D+00  0.490350D+01 -0.236020D+01  0.363118D+02  0.503114D+01
      4  -0.124348D+01 -0.102560D+01 -0.273344D+01 -0.254817D+00  0.120686D+01
      5   0.584522D+00  0.373439D+01  0.174362D+00 -0.598657D+01  0.407863D+00
      6   0.677491D+01 -0.106738D+01  0.537367D+01 -0.106734D+02  0.162624D+01
               101           102           103           104           105 
      1   0.543206D+00 -0.356969D+01  0.826742D+00 -0.304333D+01 -0.108130D+01
      2  -0.431739D+00 -0.109401D+01 -0.242492D+00 -0.144826D+00  0.197516D+01
      3  -0.111466D+00  0.466370D+01 -0.584250D+00  0.318816D+01 -0.893862D+00
      4   0.256060D+01  0.121810D+01  0.239222D+01 -0.264155D+00 -0.118660D+01
      5   0.240995D+00  0.567156D+01 -0.184930D+00 -0.480272D+00 -0.241621D+00
      6   0.702302D+00  0.164852D+01  0.784353D+00  0.120564D+01  0.659855D+01
               106           107           108           109           110 
      1  -0.562190D+01 -0.197431D+01 -0.222847D+02 -0.134016D+02  0.379127D+01
      2  -0.121181D+01  0.229790D+01 -0.164779D+02  0.679129D+01 -0.472259D+01
      3   0.683371D+01 -0.323593D+00  0.387626D+02  0.661027D+01  0.931326D+00
      4   0.159092D+01 -0.232920D+01  0.116738D+01 -0.174867D+02 -0.138176D+02
      5   0.393965D+01  0.101958D+00 -0.590269D+01 -0.606213D+00  0.453432D+00
      6   0.141518D+01  0.475635D+01  0.951298D+01 -0.625696D+00  0.360181D+00
               111           112           113           114           115 
      1  -0.543331D+00  0.169211D+01 -0.611579D+01  0.351723D+00  0.124881D+00
      2   0.145191D-01 -0.161308D+01  0.826145D+01 -0.340708D+00 -0.507318D-01
      3   0.528812D+00 -0.790271D-01 -0.214566D+01 -0.110151D-01 -0.741488D-01
      4   0.432708D+00  0.625206D+00  0.154447D+01  0.118222D+00 -0.475841D+00
      5  -0.576785D+01  0.401883D-01 -0.292289D+00  0.511833D+00  0.324192D+00
      6  -0.139751D+01  0.309957D+00 -0.492756D+00  0.159590D+01 -0.152047D+00
               116           117           118           119           120 
      1   0.714381D+00 -0.257176D+01  0.111154D+02  0.782321D+01  0.602039D-01
      2  -0.625278D+00  0.871934D+00 -0.495137D+01 -0.368249D+01  0.108438D+00
      3  -0.891035D-01  0.169983D+01 -0.616405D+01 -0.414072D+01 -0.168642D+00
      4   0.319489D+00  0.555774D+00  0.875817D+01  0.639630D+01  0.138971D-01
      5   0.889736D+00  0.224253D+00 -0.195397D+00  0.363482D-01  0.248850D+01
      6   0.283125D+01 -0.576115D+00 -0.605539D-03  0.517051D-01  0.142962D+01
               121           122           123           124           125 
      1   0.226177D+02  0.503661D+01  0.563948D+00 -0.960770D+00  0.103645D+00
      2  -0.132942D+02 -0.167020D+01 -0.589028D+00  0.417694D+00 -0.262729D+00
      3  -0.932345D+01 -0.336641D+01  0.250799D-01  0.543076D+00  0.159084D+00
      4   0.795942D+01  0.233991D+02 -0.135511D+00 -0.271389D-01 -0.223548D+00
      5   0.503697D+00 -0.259902D+00  0.467014D+01  0.499677D+01  0.287350D+01
      6   0.506777D-01  0.412585D+00 -0.122639D+00  0.760722D+00  0.171769D+01
               126           127           128           129           130 
      1   0.201251D+01 -0.442717D+01  0.987522D+01 -0.705323D+00  0.746289D+01
      2  -0.220704D+01  0.454483D+01 -0.132825D+02  0.170837D+00 -0.697181D+01
      3   0.194529D+00 -0.117656D+00  0.340731D+01  0.534486D+00 -0.491083D+00
      4   0.293544D+01 -0.400044D+01 -0.132892D+01 -0.164443D+00  0.384339D+01
      5   0.225210D+00 -0.176129D+00  0.102656D+00 -0.982932D+00  0.412076D-01
      6   0.617774D-01 -0.520873D+00  0.990001D+00 -0.136963D+01  0.645527D-01
               131           132           133           134           135 
      1  -0.226910D+02  0.759401D+00 -0.453906D+00  0.205204D+01 -0.363158D+01
      2   0.339006D+02 -0.106706D+01  0.590812D+00 -0.233375D+01  0.333455D+01
      3  -0.112096D+02  0.307655D+00 -0.136906D+00  0.281712D+00  0.297030D+00
      4   0.857197D+01 -0.391932D+00 -0.658280D+00 -0.762308D+00  0.949469D+00
      5  -0.748532D+00  0.182337D+01  0.111178D+01  0.992456D+00  0.378984D+00
      6  -0.200474D+01  0.465227D+01 -0.985270D-01  0.589480D+01 -0.686364D+00
               136           137           138           139           140 
      1   0.163503D+02  0.322041D+01  0.197134D+01 -0.409947D+01  0.461675D+01
      2  -0.658277D+01 -0.851895D+01 -0.359059D+00  0.871594D+00 -0.244850D+01
      3  -0.976756D+01  0.529854D+01 -0.161228D+01  0.322787D+01 -0.216825D+01
      4  -0.182228D+02  0.151502D+02 -0.197774D+01  0.487835D+01 -0.176172D+01
      5   0.182881D+01 -0.264493D+00  0.365189D+01 -0.739753D+00  0.712072D+00
      6  -0.172109D+01  0.231380D+00 -0.505153D+01  0.276401D+00 -0.416518D+00
               141           142           143           144 
      1  -0.156119D+00  0.162758D+01  0.188682D+01  0.537474D+00
      2   0.227212D+00 -0.129058D+01 -0.216073D+01 -0.155192D+01
      3  -0.710930D-01 -0.336998D+00  0.273912D+00  0.101444D+01
      4   0.593240D+00 -0.357827D+01  0.209951D+01 -0.370916D+01
      5  -0.180835D+01  0.455981D+01 -0.281822D+01  0.166202D+01
      6   0.244137D+00 -0.237819D+01  0.294552D+01 -0.207288D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.101689D+01      0.258468D+01      0.862157D+01
   y          0.118413D+01      0.300975D+01      0.100394D+02
   z         -0.938804D-01     -0.238620D+00     -0.795952D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.817975D+02      0.121211D+02      0.134866D+02
   yx         0.485171D+00      0.718949D-01      0.799938D-01
   yy         0.724905D+02      0.107420D+02      0.119521D+02
   zx         0.231744D+01      0.343409D+00      0.382094D+00
   zy        -0.928608D+00     -0.137605D+00     -0.153107D+00
   zz         0.474490D+02      0.703122D+01      0.782329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.748796D+02      0.110960D+02      0.123460D+02
   aniso      0.329720D+02      0.488595D+01      0.543635D+01
   xx         0.903328D+02      0.133859D+02      0.148939D+02
   yx         0.665076D+00      0.985541D-01      0.109656D+00
   yy         0.803833D+02      0.119116D+02      0.132534D+02
   zx         0.260846D+01      0.386534D+00      0.430077D+00
   zy        -0.996646D+00     -0.147688D+00     -0.164325D+00
   zz         0.539226D+02      0.799050D+01      0.889063D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.36613705         -1.93231799          1.06411086
     8          3.00072679         -2.52661013         -1.05307819
     8          3.23434426         -3.14809118          3.06439376
     6          0.57953831          0.25315521          1.64440423
     6         -1.74053337          0.54815162         -0.07722782
     6         -1.33701404          1.28257180         -2.87418922
     8         -2.57050826          3.01472731         -3.70610856
     8         -0.29014366         -0.16379782          4.16270315
     8         -3.17544312          2.49464004          1.07212425
     8          0.24842355         -0.02655414         -4.26499645
     1          1.61570088          2.04863596          1.64290003
     1         -2.86860962         -1.18682636          0.06026479
     1          1.32614180         -1.15806300         -3.21385684
     1          2.37538208         -2.48111987          4.55567432
     1         -1.53344592          1.12583451          4.52766959
     1         -3.70314660          3.58767736         -0.31555838

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.156366D+01      0.397443D+01      0.132573D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.621454D+02      0.920900D+01      0.102464D+02
   yx        -0.150861D+02     -0.223553D+01     -0.248736D+01
   yy         0.628739D+02      0.931696D+01      0.103665D+02
   zx         0.175982D+01      0.260778D+00      0.290155D+00
   zy        -0.489331D+01     -0.725114D+00     -0.806798D+00
   zz         0.767178D+02      0.113684D+02      0.126491D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.748796D+02      0.110960D+02      0.123460D+02
   aniso      0.329720D+02      0.488595D+01      0.543635D+01
   xx         0.692741D+02      0.102654D+02      0.114218D+02
   yx        -0.159140D+02     -0.235822D+01     -0.262387D+01
   yy         0.703268D+02      0.104214D+02      0.115953D+02
   zx         0.184652D+01      0.273626D+00      0.304450D+00
   zy        -0.529605D+01     -0.784794D+00     -0.873201D+00
   zz         0.850378D+02      0.126013D+02      0.140208D+02

 ----------------------------------------------------------------------
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 CLIMB THE MOUNTAINS AND GET THEIR GOOD TIDINGS.
 NATURE'S PEACE WILL FLOW INTO YOU AS SUNSHINE FLOWS INTO TREES.
 THE WINDS WILL BLOW THEIR OWN FRESHNESS INTO YOU, 
 AND CARES WILL DROP OFF LIKE AUTUMN LEAVES.

                                         -- JOHN MUIR
 Job cpu time:       0 days  3 hours  4 minutes 44.2 seconds.
 Elapsed time:       0 days  0 hours 11 minutes 34.5 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:29:30 2021.
